SCHEMBL17206953

SCHEMBL17206953

CNc1cnc(C(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.36
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK5 Q00535 1/20 0.30

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
Hydrochloric Acid SCHEMBL28422368 0.98 CSF1R (0.35) CSF1RCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL19993511 0.83 NPC1 (0.30) CYP3A4CYP2C9CYP2C19NPC1RAB9A
SCHEMBL22096431 0.83 CSF1R (0.36) CSF1RALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21899251 0.75 L3MBTL1 (0.36) CSF1RALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21610561 0.74 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL21401470 0.74 CCNE1 (0.53) CSF1RCYP2C9ALDH1A1SMN1; SMN2NPC1
SCHEMBL25737787 0.71 MAPK14 (0.40) CSF1RALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8009074 0.70 — —
SCHEMBL22592734 0.70 — —
SCHEMBL27677447 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 — — EP disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 — — US disclosed
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2020-05-12 — — US disclosed
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CAPELLA THERAPEUTICS, INC. (US) 2020-03-17 — — US disclosed
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 — — EP disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 — — US disclosed
US-9169293-B2 NPR-B agonists Shire Orphan Thereapies GmbH (DE) 2015-10-27 — — 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-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK CSF1R 1288/4885CYP2E1 204/4885CYP3A4 636/4885
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 CSF1R 866/4885CYP2E1 1118/4885CYP3A4 1537/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 CSF1R 866/4885CYP2E1 1118/4885CYP3A4 1537/4885
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CHKB, CHKA, CHUK CSF1R 1288/4885CYP2E1 204/4885CYP3A4 636/4885

“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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