SCHEMBL1703256

SCHEMBL1703256

Nc1ccc(-c2cncc3[nH]nc(N)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.67
KDR P35968 11/20 0.64
KIT P10721 7/20 0.64
FLT3 P36888 6/20 0.64
LCK P06239 5/20 0.52
CSF1R P07333 5/20 0.52
LYN P07948 4/20 0.52
SRC P12931 4/20 0.52
FLT1 P17948 4/20 0.52
BLK P51451 4/20 0.52
FLT4 P35916 3/20 0.52
ABL1 P00519 2/20 0.52
FYN P06241 2/20 0.52
FGFR1 P11362 3/20 0.49
PRKACA P17612 3/20 0.49
ROCK1 Q13464 3/20 0.49
JAK2 O60674 3/20 0.49
PLK4 O00444 2/20 0.49
AURKA O14965 2/20 0.49
CDK1 P06493 2/20 0.49

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
SCHEMBL6115577 0.83 BTK (0.62) BTKKDRKITFLT3LCK
SCHEMBL6115453 0.83 BTK (0.74) BTKKDRKITFLT3LCK
SCHEMBL8401763 0.81 BTK (0.56) BTKKDRKITFLT3LCK
SCHEMBL6115425 0.81 BTK (0.67) BTKKDRKITFLT3LCK
SCHEMBL6115829 0.81 BTK (1.00) BTKKDRKITFLT3LCK
SCHEMBL6116187 0.80 BTK (0.65) BTKKDRKITFLT3LCK
SCHEMBL6115796 0.80 BTK (1.00) BTKKDRKITFLT3LCK
SCHEMBL1162998 0.80 BTK (0.69) BTKKDRKITFLT3LCK
SCHEMBL6116093 0.80 BTK (0.65) BTKKDRKITFLT3LCK
SCHEMBL8401681 0.80 BTK (0.77) BTKKDRKITFLT3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
EP-1807424-B1 NOVEL KINASE INHIBITORS ABBOTT LAB (US) 2012-04-18 EP disclosed
US-7812166-B2 Kinase inhibitors ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 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 (4 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-20060178378-A1 Novel kinase inhibitors ABL1, MAP3K19, MAP3K20 BTK 34/4885KDR 434/4885KIT 426/4885
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 BTK 56/4885KDR 308/4885KIT 376/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 BTK 56/4885KDR 308/4885KIT 376/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 BTK 56/4885KDR 308/4885KIT 376/4885

“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.