SCHEMBL17873568

SCHEMBL17873568

O=c1[nH]cccc1-c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.54
▸ CYP19A1 P11511 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ EIF4E P06730 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL6200227 0.87 AR (0.52) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL8799909 0.81 CYP19A1 (0.57) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11689636 0.77 ALDH1A1 (0.47) KDM4EMEN1NPC1KMT2AALDH1A1
SCHEMBL6242058 0.76 CDK5 (0.57) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11466217 0.75 KDM4E (0.86) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11466274 0.74 CYP19A1 (0.59) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4281217 0.72 RAB9A (0.75) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11455457 0.72 RAB9A (0.75) ARCYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL6249095 0.71 RAB9A (0.50) CYP19A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL3435594 0.70 ACHE (0.54) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 — — EP disclosed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 — — CN disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 — — US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 — — US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 — — US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 — — US disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 — — EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 — — WO disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 — — WO 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 (2 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-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A AR 2222/4885CYP19A1 266/4885KDM4E 245/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A AR 2222/4885CYP19A1 266/4885KDM4E 245/4885

“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.

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