SCHEMBL24915274

SCHEMBL24915274

OCc1ccn(CC2CCCO2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL24915275 0.80 CYP2C19 (0.36) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL25617367 0.77 KDM4E (0.40) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL25859573 0.77 KDM4E (0.40) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL10174367 0.76 BRD4 (0.41) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL26140227 0.75 CRHR1 (0.32) ALDH1A1MAPT
SCHEMBL22497240 0.74 KDM4E (0.42) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL25862304 0.74 KMT2A (0.39) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL16815477 0.74 RAB9A (0.41) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL10141574 0.72 ALDH1A1 (0.37) KDM4ECYP2C9CYP2C19TSHRCYP1A2
SCHEMBL24915276 0.72 FEN1 (0.48) KDM4ECYP2C9CYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 — — EP 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KDM4E 3858/4885CYP2C9 245/4885CYP2C19 120/4885

“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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