SCHEMBL2384271

SCHEMBL2384271

c1ccc2[nH]c(-c3n[nH]c4cncnc34)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 17/20 0.70
▸ CHEK1 O14757 2/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ WEE1 P30291 1/20 0.49
▸ TTK P33981 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ NEK2 P51955 1/20 0.49
▸ CCNA1 P78396 1/20 0.49

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
SCHEMBL18426821 0.82 ITK (1.00) ITKCHEK1PLK4AURKACCNB2
SCHEMBL20775477 0.80 ITK (0.62) ITKCYP19A1
SCHEMBL18426832 0.78 ITK (0.75) ITKCHEK1PLK4AURKACCNB2
SCHEMBL18426830 0.77 ITK (0.73) ITKCHEK1CYP19A1
SCHEMBL5247261 0.77 GSK3B (0.49) ITKABL1SRCKDRCYP19A1
SCHEMBL18494204 0.76 PIM1 (0.69) ITK
SCHEMBL1270888 0.75 PIM1 (0.54) CDK2TTKFLT3AURKB
SCHEMBL29470244 0.75 ITK (1.00) ITKCHEK1
SCHEMBL145584 0.75 ITK (1.00) ITKCHEK1
SCHEMBL18426858 0.75 ITK (0.75) ITKCHEK1PLK4AURKACCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650985-A Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2023-01-31 — — CN disclosed
CN-109195972-B Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2022-10-28 — — CN disclosed
US-9629843-B2 MTOR modulators and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 — — US disclosed
US-20160000789-A1 MTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-01-07 — — US disclosed
US-20110224223-A1 MTOR Modulators and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2011-09-15 — — US disclosed
WO-2010006072-A2 MTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 — — 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-20160000789-A1 MTOR MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR ITK 2193/4885CHEK1 719/4885PLK4 833/4885
US-20110224223-A1 MTOR Modulators and Uses Thereof MTOR, RPTOR, RICTOR ITK 2193/4885CHEK1 719/4885PLK4 833/4885

“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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