SCHEMBL1374158

SCHEMBL1374158

Clc1ccc2nnc(Br)n2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TNF P01375 1/20 0.39
MET P08581 1/20 0.38
HSD17B10 Q99714 1/20 0.37
DYRK1A Q13627 7/20 0.36
DYRK2 Q92630 7/20 0.36
CDK5 Q00535 6/20 0.36
CDK5R1 Q15078 6/20 0.36
DYRK1B Q9Y463 6/20 0.36
DYRK3 O43781 5/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
MALT1 Q9UDY8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL612506 0.78 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1187755 0.75 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1242674 0.75 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14852007 0.74 HPGD (0.53) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL1188167 0.73 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2268441 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13746610 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17477291 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6631672 0.71 ALDH1A1 (0.69) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL937870 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
US-8759389-B1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-8399478-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
EP-2474546-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
US-20110288095-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-24 US disclosed
US-7915305-B2 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-29 US disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 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 (2 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-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 KDM4E 630/4885ALDH1A1 4111/4885SMN1; SMN2 2508/4885
US-20110288095-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 KDM4E 630/4885ALDH1A1 4111/4885SMN1; SMN2 2508/4885

“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.