SCHEMBL14975945

SCHEMBL14975945

Clc1ncc2[nH]c(-c3ccccc3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP19A1 P11511 4/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCNB2 O95067 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
HPGD P15428 5/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL17714325 0.81 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL17725598 0.79 CDK5 (0.51) NPC1RAB9ACCNB2CDK1CCNB1
SCHEMBL20516529 0.79 RIPK2 (0.47) ALDH1A1NPC1RAB9ANPY5RPKM
SCHEMBL17714318 0.79 RIPK2 (0.55) ALDH1A1KDM4ECYP19A1NPC1RAB9A
SCHEMBL20516533 0.77 RIPK2 (0.40) ALDH1A1KDM4ESMN1; SMN2CCNB2CDK1
SCHEMBL17725681 0.76 CDK2 (0.50) MEN1KMT2ANPC1RAB9ACCNB2
SCHEMBL22467501 0.76 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL20516555 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL16793646 0.75 TTK (0.48) MAPTMAPK1
SCHEMBL15021642 0.74 PTGES (0.45) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212652-B1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2021-02-17 EP disclosed
EP-3212652-B1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2021-02-17 EP disclosed
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2020-12-29 US disclosed
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2020-12-29 US disclosed
US-20190225617-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2019-07-25 US disclosed
US-20190225617-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2019-07-25 US disclosed
US-10239881-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2019-03-26 US disclosed
US-10239881-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2019-03-26 US disclosed
US-20180282335-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
EP-3212652-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2017-09-06 EP disclosed
WO-2016065461-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2016-05-06 WO disclosed
WO-2016065461-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2016-05-06 WO disclosed
WO-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 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 (4 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-20180282335-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME RIPK2, RIPK1, RIPK4 ALDH1A1 4547/4885KDM4E 2275/4885MEN1 1368/4885
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same RIPK2, RIPK1, RIPK4 ALDH1A1 4540/4885KDM4E 2441/4885MEN1 1503/4885
US-10239881-B2 RIPK2 inhibitors and method of treating cancer with same RIPK2, RIPK1, RIPK4 ALDH1A1 4547/4885KDM4E 2275/4885MEN1 1368/4885
US-20190225617-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME RIPK2, RIPK1, RIPK4 ALDH1A1 4540/4885KDM4E 2441/4885MEN1 1503/4885

“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.