SCHEMBL3733006

SCHEMBL3733006

COC(=O)c1sccc1NCc1ccnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.65
MAPK8 P45983 7/20 0.65
MAPK9 P45984 5/20 0.65
RAF1 P04049 1/20 0.63
LCK P06239 1/20 0.63
RET P07949 1/20 0.63
CYP3A4 P08684 1/20 0.63
KIT P10721 1/20 0.63
KDR P35968 1/20 0.63
MAP3K20 Q9NYL2 1/20 0.63
RIPK3 Q9Y572 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3731983 0.87 KDR (0.61) MAPK10MAPK8MAPK9RAF1LCK
Hydrochloric Acid SCHEMBL3737793 0.86 KDR (0.60) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL4276210 0.86 KDR (0.60) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL4847094 0.83 KDR (0.65) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL635132 0.82 MAPK10 (0.47) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL5796355 0.82 KDR (0.56) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL4844255 0.82 KDR (0.66) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL4851040 0.81 KDR (0.61) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL4844219 0.81 KDR (0.64) MAPK10MAPK8MAPK9RAF1LCK
SCHEMBL4848688 0.81 KDR (0.58) MAPK10MAPK8MAPK9RAF1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7618965-B2 N-(3-{[1-(dimethylamino)-2-nitrovinyl]amino}phenyl)-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide; neuroblastoma, mast cell leukemia, angiosarcoma, anaplastic large cell lymphoma, endometrial carcinoma, and prostate carcinoma OSI PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-7618965-B2 N-(3-{[1-(dimethylamino)-2-nitrovinyl]amino}phenyl)-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide; neuroblastoma, mast cell leukemia, angiosarcoma, anaplastic large cell lymphoma, endometrial carcinoma, and prostate carcinoma OSI PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-7618965-B2 N-(3-{[1-(dimethylamino)-2-nitrovinyl]amino}phenyl)-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide; neuroblastoma, mast cell leukemia, angiosarcoma, anaplastic large cell lymphoma, endometrial carcinoma, and prostate carcinoma OSI PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7388012-B2 (Hydrazido)(amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060111349-A1 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20060074082-A1 (Arylamidoaryl)cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2006-04-06 US disclosed
US-20060069121-A1 (Arylamidoanilino)nitroethylene compounds OSI PHARMACEUTICALS, INC. 2006-03-30 US disclosed
WO-2006034111-A1 (ARYLAMIDOARYL)SQUARAMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
WO-2006034015-A1 (SPIROCYCLYLAMIDO) AMINOTHIOPHENE COMPOUNDS AS C-KIT PROTO- ONCOGENE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
WO-2006034075-A1 (HYDRAZIDO) (AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
WO-2006034110-A1 (ARYLAMIDOARYL) CYANOGUANIDINE COMPOUNDS AS INHIBITORS OF C-KIT PROTO-ONCOGENE OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
WO-2006034016-A1 (ARYLAMIDOANILINO) NITROETHYLENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
US-20060063773-A1 (Hydrazido)(amino)thiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 US disclosed
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 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 (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-20060069121-A1 (Arylamidoanilino)nitroethylene compounds KIT, TPSG1, BRCA1 MAPK10 1144/4885MAPK8 2413/4885MAPK9 1073/4885
US-20060074082-A1 (Arylamidoaryl)cyanoguanidine compounds NQO2, NRAS, Q6ZSR9 MAPK10 832/4885MAPK8 1030/4885MAPK9 39/4885
US-20060111349-A1 (Arylamidoaryl)squaramide compounds KIT, TSSK6, MCTS1 MAPK10 2037/4885MAPK8 2706/4885MAPK9 1673/4885
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 MAPK10 1848/4885MAPK8 3811/4885MAPK9 2201/4885
US-20060063773-A1 (Hydrazido)(amino)thiophene compounds KIT, BRDT, BRCA1 MAPK10 2041/4885MAPK8 3134/4885MAPK9 1374/4885

“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.