SCHEMBL12573129

SCHEMBL12573129

CC1(C)OB(c2c[nH]c3ncc(Cl)cc23)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 3/20 0.36
EGFR P00533 4/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 2/20 0.34
KIT P10721 3/20 0.33
LCK P06239 2/20 0.33
CSF1R P07333 2/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
FLT1 P17948 2/20 0.33
KDR P35968 2/20 0.33
FLT3 P36888 2/20 0.33
AURKB Q96GD4 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL31152357 1.00 JAK2 (0.43) JAK2CYP3A4CYP2C19EGFRCYP2D6
SCHEMBL31152368 0.84 CYP2C19 (0.33) CYP3A4CYP2C19CYP2C9
SCHEMBL16775466 0.84 CYP2C19 (0.33) CYP3A4CYP2C19CYP2C9
SCHEMBL18270927 0.83 AURKA (0.43) JAK2PDGFRBPDGFRAFLT1KDR
SCHEMBL14685262 0.83 GSK3A (0.38) JAK2CYP3A4EGFRCYP2D6CYP2C9
SCHEMBL5138075 0.77 RPS6KA5 (0.37)
SCHEMBL12572870 0.75 KIT (0.50) KITAAK1CDK8TNIK
SCHEMBL21961971 0.75 MAPK1 (0.42) CLK1
SCHEMBL29383238 0.74 GSK3A (0.42) EGFRPDGFRBKDRKCNH2
SCHEMBL2967174 0.74 GSK3A (0.42) EGFRPDGFRBKDRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692089-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR Alicorn Pharmaceutical Co., Ltd. (CN) 2026-02-11 EP disclosed
WO-2024207945-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR 艾立康药业股份有限公司 2024-10-10 WO disclosed
WO-2022263800-A1 PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-12-22 WO disclosed
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
EP-2786995-A1 Azaindoles useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2014-10-08 EP disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 US disclosed
EP-2311837-B1 Azaindoles useful as inhibitors of jak and other protein kinases VERTEX PHARMA (US) 2014-05-21 EP disclosed
EP-2332940-B1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMA (US) 2012-10-31 EP disclosed
EP-2332940-A1 Azaindoles useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2011-06-15 EP disclosed
EP-2311837-A1 Azaindoles useful as inhibitors of jak and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2011-04-20 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 JAK2 1117/4885CYP3A4 4765/4885CYP2C19 4866/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 JAK2 1117/4885CYP3A4 4765/4885CYP2C19 4866/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 JAK2 1117/4885CYP3A4 4765/4885CYP2C19 4866/4885

“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.