SCHEMBL1119544

SCHEMBL1119544

CCC1CC(C(=O)O)CCN1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRR1 P24046 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL14640362 0.78 L3MBTL1 (0.46) MAPTALDH1A1SMN1; SMN2
SCHEMBL9281383 0.77 SMN1; SMN2 (0.39) NEK2ALDH1A1LMNASMN1; SMN2RORC
SCHEMBL11155986 0.76 NEK2 (0.36) NEK2ALDH1A1LMNASMN1; SMN2RORC
SCHEMBL2906284 0.76 MAPT (0.36) MAPTLMNAGABRR1NOTUM
SCHEMBL26452297 0.75 LMNA (0.34) LMNA
SCHEMBL10566816 0.75 ATM (0.36) NEK2ALDH1A1LMNASMN1; SMN2RORC
SCHEMBL18269015 0.73 — —
SCHEMBL17835201 0.73 — —
SCHEMBL9892941 0.73 — —
SCHEMBL24918356 0.73 — —

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280976-B1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AS GSK3BETA-INHIBITORS BAYER IP GMBH (DE) 2014-01-01 — — EP disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 — — US disclosed
EP-2280976-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AS GSK3BETA-INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-09 — — EP disclosed
WO-2009138176-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AS GSK3BETA-INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-19 — — WO disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 — — EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 — — US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 — — US disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 — — US disclosed
US-6534531-B2 Thiazole derivatives BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 — — US disclosed
EP-1282419-A2 METHODS FOR PREVENTING AND TREATING ALOPECIA INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-12 — — EP disclosed
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy BRISTOL-MYERS SQUIBB COMPANY 2002-05-23 — — US disclosed
WO-2001080813-A2 METHODS FOR PREVENTING AND TREATING ALOPECIA INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 — — 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 (3 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-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy NR5A1, CYP17A1, CYP21A2 NEK2 1406/4885MAPT 3939/4885ALDH1A1 210/4885
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF NEK2 95/4885MAPT 4054/4885ALDH1A1 1397/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF NEK2 95/4885MAPT 4054/4885ALDH1A1 1397/4885

“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.

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