SCHEMBL25139814

SCHEMBL25139814

CC(C)(C)OC(=O)Nc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ LGMN Q99538 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPT P10636 2/20 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
SCHEMBL30043543 1.00 POLB (0.41) POLBCSF1RIGF1RGPR119EGFR
SCHEMBL21600862 0.88 HDAC2 (0.42) IGF1RGPR119ALDH1A1HDAC1HDAC2
SCHEMBL21600784 0.88 ABL1 (0.44) GPR119OPRM1OPRD1OGFRL1HDAC1
SCHEMBL25139823 0.88 ABL1 (0.42) GPR119OPRM1OPRD1OGFRL1HDAC1
SCHEMBL30044118 0.88 ABL1 (0.42) GPR119OPRM1OPRD1OGFRL1HDAC1
SCHEMBL21600861 0.87 ABL1 (0.45) GPR119OPRM1OPRD1OGFRL1HDAC1
SCHEMBL30044386 0.87 ABL1 (0.45) GPR119OPRM1OPRD1OGFRL1HDAC1
SCHEMBL25140046 0.87 HDAC1 (0.42) CSF1RGPR119EGFRHDAC1HDAC2
SCHEMBL30331532 0.87 HDAC1 (0.42) CSF1RGPR119EGFRHDAC1HDAC2
SCHEMBL25139796 0.86 ALDH1A1 (0.43) ALDH1A1OPRM1OPRD1OGFRL1HDAC1

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-20230125046-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-04-20 — — 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-20230125046-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF FGFR4, FGFR1, WEE1 POLB 3161/4885CSF1R 3053/4885IGF1R 1194/4885

“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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