SCHEMBL15599333

SCHEMBL15599333

Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MET P08581 1/20 0.39
▸ GPR119 Q8TDV5 8/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ KIT P10721 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RET P07949 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL15599328 0.90 SMPD3 (0.41) BRD4MEN1KMT2AMETGPR119
SCHEMBL15556363 0.88 MEN1 (0.49) BRD4MEN1KMT2AMETGPR119
SCHEMBL17273341 0.88 GPR119 (0.46) BRD4GPR119PTPN11RET
SCHEMBL15553717 0.86 MEN1 (0.49) BRD4MEN1KMT2AMETGPR119
SCHEMBL15556265 0.86 PIK3CA (0.45) BRD4MEN1KMT2AMETGPR119
SCHEMBL15599456 0.85 GPR119 (0.46) BRD4MEN1KMT2AMETGPR119
SCHEMBL15560717 0.85 GPR119 (0.46) BRD4GPR119PTPN11CYP3A4CYP2C9
SCHEMBL15556171 0.85 SMPD3 (0.43) BRD4MEN1KMT2AMETGPR119
SCHEMBL15599327 0.85 GPR119 (0.41) BRD4MEN1KMT2AMETGPR119
SCHEMBL15557437 0.84 MET (0.46) BRD4MEN1KMT2AMETGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — US disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 — — 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 (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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 BRD4 639/4885MEN1 3581/4885KMT2A 2319/4885

“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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