SCHEMBL18578596

SCHEMBL18578596

COc1cc2c(cnn2C(=O)O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
AXL P30530 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SHMT2 P34897 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 3/20 0.37
STING1 Q86WV6 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL29919783 0.85 HSP90AB1 (0.39) HSP90AB1AXLMEN1KMT2AL3MBTL1
SCHEMBL28936497 0.85 HSP90AB1 (0.39) HSP90AB1AXLMEN1KMT2AL3MBTL1
SCHEMBL18555471 0.82 ELANE (0.41) HSP90AB1AXLMEN1KMT2AL3MBTL1
SCHEMBL29919579 0.82 ELANE (0.41) HSP90AB1AXLMEN1KMT2AL3MBTL1
SCHEMBL15639676 0.80 CHEK1 (0.39) KMT2ARAB9ANPC1GAASTING1
SCHEMBL18555448 0.79 HSP90AB1 (0.37) HSP90AB1MEN1KMT2ASHMT2RAB9A
SCHEMBL30659648 0.77 STING1 (0.36) AXLMEN1KMT2AL3MBTL1SHMT2
SCHEMBL17868785 0.76 AXL (0.46) AXLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL614535 0.76 CHEK1 (0.32) HSP90AB1MEN1KMT2ASHMT2RAB9A
SCHEMBL4787452 0.75 CHEK1 (0.54) HSP90AB1MEN1KMT2ASHMT2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 EP disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-25 US disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 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 (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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HSP90AB1 4070/4885AXL 1123/4885MEN1 326/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 HSP90AB1 4070/4885AXL 1123/4885MEN1 326/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HSP90AB1 4041/4885AXL 1072/4885MEN1 306/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HSP90AB1 4070/4885AXL 1123/4885MEN1 326/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HSP90AB1 4070/4885AXL 1123/4885MEN1 326/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HSP90AB1 4070/4885AXL 1123/4885MEN1 326/4885
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HSP90AB1 4070/4885AXL 1123/4885MEN1 326/4885

“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.