SCHEMBL935914

SCHEMBL935914

Clc1cc(I)cc(NCC2CCCNC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.45
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
CDK9 P50750 1/20 0.43
EHMT2 Q96KQ7 2/20 0.41
AURKB Q96GD4 7/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
SYK P43405 6/20 0.39
KCNH2 Q12809 3/20 0.39
PIK3CA P42336 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
SCHEMBL934369 0.77 CDK2 (0.42) CCNT1BRD4EHMT2
SCHEMBL934391 0.76 KCNH2 (0.38) CCNT1CDK9KCNH2
SCHEMBL1044968 0.74 CDC7 (0.61) CCNT1CDK9AURKBJAK2JAK3
SCHEMBL935451 0.71 IDO1 (0.39)
SCHEMBL19377884 0.71 CCNT1 (0.43) CCNT1BRD4ATAD2CDK9EHMT2
SCHEMBL21604522 0.69 BRD4 (0.50) CCNT1BRD4ATAD2EHMT2AURKB
SCHEMBL22792032 0.68 EHMT2 (0.45) CCNT1BRD4ATAD2EHMT2AURKB
SCHEMBL30085803 0.68 SYK (0.48) CCNT1AURKBSYKKCNH2
SCHEMBL28894892 0.68 SYK (0.48) CCNT1AURKBSYKKCNH2
SCHEMBL530604 0.68 CHEK1 (0.44)

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
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
CN-102471345-A Pyrrolopyrazine inhibitors of kinases ABBOTT LAB 2012-05-23 CN disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CCNT1 190/4885BRD4 1408/4885ATAD2 1836/4885

“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.