SCHEMBL254648

SCHEMBL254648

CCCCCC1CNCC[N]1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN2A Q99250 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
GUSB P08236 1/20 0.33
EPHX1 P07099 1/20 0.31
GLB1 P16278 3/20 0.31
GBA2 Q9HCG7 2/20 0.31
GNAO1 P09471 3/20 0.31
GNAI3 P08754 2/20 0.31
GNAI1 P63096 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
NOS3 P29474 1/20 0.30

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
SCHEMBL3254586 0.98 ALDH1A1 (0.36) GBA1ALDH1A1SCN2ASPHK1GUSB
SCHEMBL789435 0.94 NOS1 (0.35) GLB1NOS1NOS2MAOAMAOB
SCHEMBL10701436 0.90 SPHK2 (0.35) GBA1ALDH1A1SPHK1EPHX1NOS1
SCHEMBL10702646 0.89 SCN2A (0.34) GBA1ALDH1A1SCN2ASPHK1GUSB
SCHEMBL789308 0.88
SCHEMBL3715413 0.87 SCN2A (0.36) GBA1ALDH1A1SCN2ASPHK1GUSB
SCHEMBL8026346 0.80 CHRM1 (0.37) MAOAMAOB
SCHEMBL946810 0.80 SIGMAR1 (0.32)
SCHEMBL10700216 0.80
SCHEMBL10701239 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP claimed
EP-1671969-A2 Thiazolyl inhibitors of tec family tyrosine kinases Bristol-Myers Squibb Company (US) 2006-06-21 EP claimed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
CN-1671699-A Photochromic bis-naphthopyran compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (US) 2005-09-21 CN claimed
CN-1617861-A Photochromic oxazine compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (US) 2005-05-18 CN claimed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 US claimed
US-6794507-B2 Compounds that inhibit factor Xa activity MORPHOCHEM AG (DE) 2004-09-21 US claimed
US-6784198-B1 2-(ARYLMETHYL-CARBONYLAMINO)-1,3-THIAZOLE DERIVATIVES; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA ITALIA S.P.A. (IT) 2004-08-31 US claimed
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-06-10 US claimed
EP-1347971-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES Bristol-Myers Squibb Company (US) 2003-10-01 EP claimed
US-20030153510-A1 Novel compounds inhibiting factor xa activity CAPPI MICHAEL W (DE) 2003-08-14 US claimed
CN-1425009-A Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-06-18 CN claimed
EP-1311473-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY Morphochem AG (DE) 2003-05-21 EP claimed
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US claimed
WO-2002050071-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-27 WO claimed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP claimed
WO-2002016312-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY MORPHOCHEM AG (DE) 2002-02-28 WO claimed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO claimed
US-6114365-A Arylmethyl-carbonylamino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-09-05 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 GBA1 2726/4885ALDH1A1 4635/4885SCN2A 4263/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK GBA1 3643/4885ALDH1A1 2945/4885SCN2A 4599/4885
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents CCAR2, BCL2, ROS1 GBA1 2623/4885ALDH1A1 1099/4885SCN2A 3193/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK GBA1 3643/4885ALDH1A1 2945/4885SCN2A 4599/4885
US-20030153510-A1 Novel compounds inhibiting factor xa activity SERPINC1, F11, TFPI GBA1 697/4885ALDH1A1 1037/4885SCN2A 988/4885

“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.