SCHEMBL16665584

SCHEMBL16665584

COc1ccc(CNc2ccc(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ EGFR P00533 13/20 0.46
▸ HTR2A P28223 3/20 0.42
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18074114 0.90 EGFR (0.43) EGFRMAPT
SCHEMBL16665634 0.89 HTR6 (0.50) HTR6DRD2HTR7EGFRHTR2A
SCHEMBL16655389 0.82 EGFR (0.48) HTR6DRD2HTR7EGFRHTR2A
SCHEMBL29613470 0.79 EGFR (0.48) HTR6DRD2HTR7EGFRHTR2A
SCHEMBL27223018 0.79 EGFR (0.48) HTR6DRD2HTR7EGFRHTR2A
SCHEMBL18074115 0.78 CDK7 (0.43) EGFR
SCHEMBL29174714 0.75 EGFR (0.43) HTR6EGFR
SCHEMBL29174730 0.75 EGFR (0.46) HTR6DRD2HTR7EGFRHTR2A
SCHEMBL15647363 0.75 EGFR (0.45) HTR6EGFRMAPK1SMN1; SMN2
SCHEMBL29174622 0.75 EGFR (0.45) HTR6DRD2HTR7EGFRHTR2A

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
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 HTR6 2975/4885DRD2 4726/4885HTR7 364/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 HTR6 3045/4885DRD2 4814/4885HTR7 1891/4885

“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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