SCHEMBL16042073

SCHEMBL16042073

COC(=O)c1ccc(Cn2nnc3ccc(Br)cc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ HTT P42858 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ HCAR3 P49019 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45

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
SCHEMBL28047881 0.85 HCAR3 (0.59) RAB9AGAAHTTNAMPTCDK9
SCHEMBL7161071 0.83 SMN1; SMN2 (0.67) RAB9AGAASMN1; SMN2NPC1HTT
SCHEMBL16042515 0.79 BRD4 (0.62) RAB9AGAASMN1; SMN2CDK9LMNA
SCHEMBL16112191 0.78 HCAR3 (0.44) RAB9AGAAHTTNAMPTCDK9
SCHEMBL16041793 0.77 ALDH1A1 (0.44) HTTNAMPTCDK9LMNAALDH1A1
SCHEMBL6184141 0.76 HCAR3 (0.56) RAB9AGAASMN1; SMN2NPC1HTT
SCHEMBL15687303 0.76 HCAR3 (0.74) RAB9ASMN1; SMN2NPC1HTTNAMPT
SCHEMBL14376789 0.76 HCAR3 (0.56) NAMPTMAPTHCAR3
SCHEMBL12421884 0.74 NPC1 (0.49) RAB9AGAASMN1; SMN2NPC1HTT
SCHEMBL15687432 0.73 MAPT (0.53) RAB9AGAASMN1; SMN2NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 — — US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 RAB9A 376/4885GAA 2386/4885SMN1; SMN2 2162/4885

“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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