SCHEMBL18985638

SCHEMBL18985638

COc1cnc(C)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.40
▸ P2RX2 Q9UBL9 5/20 0.40
▸ HTR1A P08908 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ SLC6A2 P23975 5/20 0.37
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ PMP22 Q01453 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ UHRF1 Q96T88 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL1054720 0.84 ALDH1A1 (0.46) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL10200155 0.83 SLC6A2 (0.41) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL18986020 0.79 SLC6A2 (0.41) P2RX3P2RX2CYP1A2CYP3A4TSHR
SCHEMBL4142773 0.77 UHRF1 (0.48) P2RX3P2RX2CYP1A2SLC6A2SLC6A4
SCHEMBL23068062 0.77 P2RX3 (0.43) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL15005974 0.77 ALDH1A1 (0.39) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL21823272 0.77 HTR1A (0.41) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL29965036 0.77 P2RX3 (0.37) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL23663263 0.77 SMPD3 (0.39) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL29694847 0.77 HTR1A (0.41) P2RX3P2RX2HTR1AHTR2AHTR2C

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
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 — — EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 — — US disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 — — US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 — — US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 — — US disclosed
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 — — EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 — — WO disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 — — 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 P2RX3 1550/4885P2RX2 1564/4885HTR1A 2771/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 P2RX3 1550/4885P2RX2 1564/4885HTR1A 2771/4885

“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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