SCHEMBL624344

SCHEMBL624344

N[C]1CC=Cc2cccc(N)c21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 1/20 0.31
ADORA2A P29274 1/20 0.31
PIK3CA P42336 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11662214 0.74 CYP3A4 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL8041868 0.70 HTR6 (0.36) TSHRALDH1A1HPGDHSD17B10PTPRC
Indene SCHEMBL1722574 0.68 CA1 (0.47) CYP3A4TSHRALDH1A1HPGDTDP1
SCHEMBL15899337 0.67 CD44 (0.32) TSHRALDH1A1
SCHEMBL27944321 0.65 ADORA2A (0.42) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL3036922 0.65 CYP3A4 (0.57) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL28008381 0.64 CA1 (0.37) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL9321634 0.64 ADORA2A (0.37) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL972273 0.62 ALDH1A1 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL10462361 0.62 ADORA2A (0.44) CYP3A4TSHRALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-20240083904-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2024-03-14 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 EP disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 WO disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE NANTBIO, INC. (US) 2020-05-28 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-8575154-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-25 US disclosed
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8138130-B2 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants CHEVRON ORONITE COMPANY LLC (US) 2012-03-20 US disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
EP-1707616-B1 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants CHEVRON ORONITE CO (US) 2011-06-22 EP disclosed
US-20060223717-A1 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants CHEVRON ORONITE COMPANY LLC 2006-10-05 US disclosed
EP-1707616-A2 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants Chevron Oronite Company LLC (US) 2006-10-04 EP 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 (9 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CYP3A4 1896/4885TSHR 1089/4885ALDH1A1 177/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CYP3A4 1896/4885TSHR 1089/4885ALDH1A1 177/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CYP3A4 1896/4885TSHR 1089/4885ALDH1A1 177/4885
US-20240083904-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 CYP3A4 1457/4885TSHR 58/4885ALDH1A1 431/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A CYP3A4 1896/4885TSHR 1089/4885ALDH1A1 177/4885
US-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN2 CYP3A4 2364/4885TSHR 4625/4885ALDH1A1 1313/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CYP3A4 1896/4885TSHR 1089/4885ALDH1A1 177/4885
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 CYP3A4 1457/4885TSHR 58/4885ALDH1A1 431/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CYP3A4 1896/4885TSHR 1089/4885ALDH1A1 177/4885

“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.