SCHEMBL3274096

SCHEMBL3274096

CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SIRT6 Q8N6T7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL1830606 0.92 POLB (0.49) HRH3POLBNPC1RAB9AL3MBTL1
SCHEMBL21814290 0.87 KMT2A (0.53) HRH3POLBL3MBTL1LMNAMAPT
SCHEMBL3276264 0.85 KDM4E (0.46) HRH3POLBNPC1RAB9AL3MBTL1
SCHEMBL11044966 0.85 EPHX2 (0.54) POLBSMN1; SMN2LMNAALDH1A1SIGMAR1
SCHEMBL28297004 0.84 SIGMAR1 (0.45) POLBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL16532717 0.84 SIGMAR1 (0.45) POLBNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6120780 0.84 SMN1; SMN2 (0.43) HRH3POLBNPC1RAB9AL3MBTL1
SCHEMBL736195 0.84 HRH3 (0.58) HRH3
SCHEMBL16701708 0.84 MAOA (0.44) HRH3POLBNPC1RAB9AL3MBTL1
SCHEMBL16701425 0.84 ACVR1 (0.44) HRH3POLBNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
WO-2020219729-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-10-29 WO disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 CN disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 US disclosed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US disclosed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 US disclosed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US disclosed
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 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 (7 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK HRH3 1770/4885POLB 2082/4885NPC1 4275/4885
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 HRH3 227/4885POLB 3021/4885NPC1 858/4885
US-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 HRH3 2604/4885POLB 4204/4885NPC1 3855/4885
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 HRH3 1755/4885POLB 254/4885NPC1 4858/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 HRH3 227/4885POLB 3021/4885NPC1 858/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK HRH3 1770/4885POLB 2082/4885NPC1 4275/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI HRH3 1050/4885POLB 299/4885NPC1 4870/4885

“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.