Sugi Predict

Sugi Predict / Compounds / SCHEMBL880495

SCHEMBL880495

SCHEMBL880495

CN1CCCN(c2ccc(N)cc2F)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPT P10636 7/20 0.59
▸ GFER P55789 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KDM4E B2RXH2 5/20 0.58
▸ RAD52 P43351 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GAA P10253 3/20 0.49
▸ PTK2B Q14289 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ NCF1 P14598 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ ADRA2C P18825 3/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL29520597 0.94 ALDH1A1 (0.66) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL159044 0.94 ALDH1A1 (0.66) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL7038110 0.88 ALDH1A1 (0.67) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL3442442 0.85 ALDH1A1 (0.67) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL17265648 0.85 ALDH1A1 (0.77) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL14922278 0.84 ALDH1A1 (0.61) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL30721891 0.83 ALDH1A1 (0.65) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL4918379 0.83 ALDH1A1 (0.65) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL157935 0.83 ALDH1A1 (0.65) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL5563405 0.83 MAPT (0.84) ALDH1A1MAPTGFERMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 — — US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 — — US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 — — WO disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 — — US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 — — US disclosed
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
CN-101213179-A 2, 4-diamino-pyrimidines as Aurora inhibitors BOEHRINGER INGELHEIM INT (DE) 2008-07-02 — — CN disclosed
EP-1902037-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-03-26 — — EP disclosed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 — — WO disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 — — EP disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 — — US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 — — US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 — — US disclosed
WO-2007003596-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 — — WO disclosed
WO-2007003596-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 — — WO 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 (6 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885MAPT 4119/4885GFER 1655/4885
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS ALDH1A1 3621/4885MAPT 4119/4885GFER 3360/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB ALDH1A1 1508/4885MAPT 819/4885GFER 4853/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ALDH1A1 3277/4885MAPT 2840/4885GFER 3353/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885GFER 1383/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB ALDH1A1 1508/4885MAPT 819/4885GFER 4853/4885

“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.