SCHEMBL21397350

SCHEMBL21397350

C=CC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.49
▸ JAK3 P52333 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ ULK1 O75385 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ TNKS O95271 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 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
SCHEMBL21397458 0.87 ULK1 (0.53) HPGDULK1F10ALOX15TNKS
SCHEMBL2450367 0.79 HTR2C (0.56) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL4434645 0.79 ALDH1A1 (0.70) HTR2CJAK3ALDH1A1USP2HPGD
SCHEMBL2444405 0.79 ALDH1A1 (0.70) HTR2CJAK3ALDH1A1USP2HPGD
SCHEMBL18019658 0.77 THRB (0.50) THRATHRBF13A1TGM2TGM1
SCHEMBL29542019 0.77 HTR2C (0.53) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL21541003 0.76 HTR2C (0.62) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL6861732 0.76 HTR2C (0.62) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL13745623 0.76 HTR2C (0.53) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL19992630 0.76 HTR2C (0.53) HTR2CALDH1A1USP2HPGDSMN1; SMN2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTR2C 3730/4885JAK3 292/4885ALDH1A1 3269/4885

“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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