SCHEMBL15599329

SCHEMBL15599329

Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.48
▸ KIT P10721 1/20 0.42
▸ CDK9 P50750 3/20 0.40
▸ ATR Q13535 1/20 0.39
▸ GRM5 P41594 5/20 0.39
▸ GRM1 Q13255 5/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38

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
SCHEMBL15555500 0.91 HTR6 (0.49) HTR6KITATRGRM5GRM1
SCHEMBL15599446 0.88 HTR6 (0.47) HTR6KITATRGRM5GRM1
SCHEMBL17273339 0.84 HTR6 (0.43) HTR6KITCDK9ATRGRM5
SCHEMBL15557674 0.83 HTR6 (0.47) HTR6KITCDK9ATRGRM5
SCHEMBL15560717 0.83 GPR119 (0.46) GPR119PTPN11BRD4
SCHEMBL15555495 0.83 HTR6 (0.43) HTR6KITCDK9ATRGRM5
SCHEMBL15599333 0.82 BRD4 (0.41) KITGPR119PTPN11BRD4
SCHEMBL15556724 0.82 HTR6 (0.46) HTR6KITCDK9ATRGRM5
SCHEMBL15557269 0.82 HTR6 (0.42) HTR6KITCDK9ATRGRM5
SCHEMBL15556363 0.80 MEN1 (0.49) GPR119PTPN11BRD4

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 HTR6 2490/4885KIT 612/4885CDK9 284/4885

“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.

Send feedback