SCHEMBL321702

SCHEMBL321702

CCc1cccc2c1OC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CCR8 P51685 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1892244 0.84 LMNA (0.48) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL10425052 0.84 LMNA (0.44) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL8634114 0.84 LMNA (0.44) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL112586 0.84 LMNA (0.44) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL12111122 0.83 HTR1A (0.38) LMNAALDH1A1KDM4EKMT2AKDM5A
SCHEMBL6831429 0.82 LMNA (0.50) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL4176360 0.82 LMNA (0.47) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL14961223 0.81 NPC1 (0.49) LMNAALDH1A1KMT2APOLBNPC1
SCHEMBL10425028 0.81 LMNA (0.43) LMNAALDH1A1KDM4EPKMNPSR1
SCHEMBL1252596 0.81 LMNA (0.49) LMNAALDH1A1KDM4EPKMNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9877954-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
US-20170202815-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 US disclosed
US-9708293-B2 N-(pyridin-2-yl)pyrimidin-4-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-9650361-B2 N-(pyridin-2-yl)pyrimidin-4-amine derivatives containing a sulfoximine group BAYER PHARAM AKTIENGESELLSCHAFT (DE) 2017-05-16 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-9066946-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-30 US disclosed
US-20140275015-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 WO disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 LMNA 3446/4885ALDH1A1 2674/4885KDM4E 3386/4885
US-20170202815-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP PNPO, PLPBP, PDXK LMNA 1012/4885ALDH1A1 466/4885KDM4E 2817/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 LMNA 3437/4885ALDH1A1 1978/4885KDM4E 3641/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885ALDH1A1 2353/4885KDM4E 1618/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LMNA 935/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LMNA 935/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LMNA 935/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI LMNA 1199/4885ALDH1A1 3412/4885KDM4E 4497/4885
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES AADAC, DDAH1, PRSS1 LMNA 4450/4885ALDH1A1 444/4885KDM4E 334/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 LMNA 4134/4885ALDH1A1 1823/4885KDM4E 3857/4885
US-20140275015-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 LMNA 2272/4885ALDH1A1 1628/4885KDM4E 4350/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.