SCHEMBL3723942

SCHEMBL3723942

COc1cccc(-c2cnc3[nH]ccc3c2N2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.52
TGFBR1 P36897 1/20 0.52
HTR1A P08908 2/20 0.50
HTR7 P34969 2/20 0.50
HTR2B P41595 2/20 0.50
HTR3A P46098 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
USP2 O75604 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ACVRL1 P37023 1/20 0.48
ADRB1 P08588 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3721084 0.85 NEK1 (0.46) USP2TP53TSHRCCNCCDK8
SCHEMBL3721532 0.84 HTR2C (0.48) HTR1AHTR7HTR2BHTR3AHTR2A
Hydrochloric Acid SCHEMBL3718468 0.82 HTR2C (0.49) ACVR1HTR1AHTR7HTR2AHTR2C
SCHEMBL3725787 0.81 JAK1 (0.51) KITJAK2JAK1
SCHEMBL27800359 0.79 HTR7 (0.53) HTR7HTR2BHTR3AHTR2AHTR2C
SCHEMBL3724719 0.77 RPS6KA3 (0.56) ACVR1HTR1AHTR7HTR2BHTR2C
SCHEMBL3724774 0.75 HTR2C (0.47) HTR1AHTR7HTR2BHTR3AHTR2C
SCHEMBL3720578 0.75 AKT1 (0.58)
SCHEMBL3720574 0.75 AKT1 (0.58)
SCHEMBL3774558 0.74 AKT1 (0.45) KITJAK2JAK1

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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B ACVR1 3282/4885TGFBR1 2790/4885HTR1A 4429/4885

“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.