SCHEMBL18047421

SCHEMBL18047421

CC(C)(CN)CNc1ncc(Cl)c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.47
▸ DRD2 P14416 4/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ HTR7 P34969 3/20 0.47
▸ HTR1A P08908 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA1 P00915 1/20 0.43
▸ EGFR P00533 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL19054622 0.83 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29429815 0.80 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039811 0.80 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL16655060 0.80 CDK7 (0.41) HTR6DRD2HTR2AHTR7EGFR
SCHEMBL19054640 0.78 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL16655292 0.78 CDK7 (0.48) HTR6EGFR
SCHEMBL20041265 0.77 EGFR (0.43) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL18047405 0.77 CDK7 (0.58) —
SCHEMBL17141074 0.76 CCNT1 (0.49) HTR6DRD2HTR2AHTR7EGFR
SCHEMBL17140747 0.76 CDK7 (0.52) HTR6DRD2HTR2AHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — US disclosed
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — 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 (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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 HTR6 2975/4885DRD2 4726/4885HTR2A 4449/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 HTR6 3045/4885DRD2 4814/4885HTR2A 4640/4885

“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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