SCHEMBL24927432

SCHEMBL24927432

CCCCNc1ncnc2c(Br)csc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ CCNB2 O95067 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ PRKCI P41743 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ RAB9A P51151 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
SCHEMBL2475963 0.79 EGFR (0.41) SMN1; SMN2LMNANPSR1HTTKDM4E
SCHEMBL6645224 0.73 KDM4E (0.35) PRKCISMN1; SMN2LMNAHTTKDM4E
SCHEMBL17895522 0.72 JAK2 (0.40) PRKCISMN1; SMN2LMNACDK8ALDH1A1
SCHEMBL2476576 0.72 LMNA (0.43) PRKCISMN1; SMN2LMNAHTTLPAR2
Hydrochloric Acid SCHEMBL5641475 0.71 PRKCI (0.34) PRKCISMN1; SMN2LMNAHTTKDM4E
SCHEMBL9930221 0.70 HCAR3 (0.40) CHEK2FLT1PRKCISMN1; SMN2LMNA
SCHEMBL15542062 0.69 CYP1A2 (0.51) LMNAKDM4EALDH1A1TSHRMAPT
SCHEMBL2920664 0.68 PRKCI (0.48) PRKCIKMT2A
SCHEMBL20130428 0.66 TLR8 (0.53) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL7683034 0.66 PRKCI (0.46) PRKCINPSR1KDM4ETLR8KMT2A

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-20230028651-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1-((3-CHLORO-2-FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH, INC. (US) 2023-01-26 — — 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-20230028651-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1-((3-CHLORO-2-FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO BRAF, RAF1, KRAS CHEK2 2970/4885FLT1 1890/4885CCNB2 2810/4885

“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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