SCHEMBL423956

SCHEMBL423956

Cc1cccc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.58
KDR P35968 3/20 0.58
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
IMPDH2 P12268 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.50
CSF1R P07333 1/20 0.49
FLT1 P17948 1/20 0.49
FLT3 P36888 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 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
SCHEMBL423849 0.91 PDGFRB (0.54) PDGFRBKDRSAE1UBA2SMN1; SMN2
SCHEMBL441291 0.87 CA1 (0.55) PDGFRBKDRCA1CA2CA9
SCHEMBL15932600 0.87 RAB9A (0.55) PDGFRBKDRSAE1UBA2CA1
SCHEMBL423204 0.86 PDGFRB (0.61) PDGFRBKDRCA1CA2CA9
SCHEMBL418813 0.86 MEN1 (0.59) PDGFRBKDRCA1CA2CA9
SCHEMBL424231 0.86 RAB9A (0.55) PDGFRBKDRCA1CA2CA9
SCHEMBL60398 0.85 KDR (0.50) PDGFRBKDRSAE1UBA2CA1
SCHEMBL59635 0.84 KDR (0.60) PDGFRBKDRCA1CA2CA9
SCHEMBL15565987 0.84 CA1 (0.52) PDGFRBKDRSAE1UBA2CA1
SCHEMBL424884 0.83 ALDH1A1 (0.62) PDGFRBKDRSAE1UBA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-9695181-B2 Hydroximic acid derivatives and medical applications therof Feng, Zixia (CN) 2017-07-04 US disclosed
US-9695181-B2 Hydroximic acid derivatives and medical applications therof Feng, Zixia (CN) 2017-07-04 US disclosed
US-20160176879-A1 Novel Hydroximic Acid Derivative and Medical Application Thereof ZENG, ZIXIA (CN) 2016-06-23 US disclosed
US-20160176879-A1 Novel Hydroximic Acid Derivative and Medical Application Thereof ZENG, ZIXIA (CN) 2016-06-23 US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 US disclosed
CN-103396417-B Novel hydroxamic acid derivative and medical application thereof FENG ZIXIA 2015-02-04 CN disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
EP-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 WO disclosed
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABBOTT LABORATORIES 2004-11-25 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 (12 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-20160176879-A1 Novel Hydroximic Acid Derivative and Medical Application Thereof HCAR2, HCAR1, HDAC5 PDGFRB 20/4885KDR 25/4885SAE1 2999/4885
US-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 PDGFRB 280/4885KDR 511/4885SAE1 4456/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK PDGFRB 549/4885KDR 724/4885SAE1 4084/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK PDGFRB 579/4885KDR 970/4885SAE1 3387/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK PDGFRB 295/4885KDR 494/4885SAE1 4303/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 PDGFRB 631/4885KDR 800/4885SAE1 3363/4885
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK PDGFRB 579/4885KDR 970/4885SAE1 3387/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK PDGFRB 295/4885KDR 494/4885SAE1 4303/4885
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK PDGFRB 579/4885KDR 970/4885SAE1 3387/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK PDGFRB 579/4885KDR 970/4885SAE1 3387/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 PDGFRB 592/4885KDR 527/4885SAE1 3486/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK PDGFRB 579/4885KDR 970/4885SAE1 3387/4885

“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.