SCHEMBL4555643

SCHEMBL4555643

Clc1ncc(I)c(Nc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.61
EGFR P00533 3/20 0.55
BCL6 P41182 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
JAK2 O60674 2/20 0.43
LRRK2 Q5S007 1/20 0.43
IGF1R P08069 2/20 0.42
CDK2 P24941 2/20 0.42
GSK3B P49841 2/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 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
SCHEMBL15584950 0.83 AURKA (0.47) PIN1EGFRMEN1KMT2AMAPT
SCHEMBL1491787 0.82 BCL6 (0.70) PIN1EGFRBCL6MEN1KMT2A
SCHEMBL15585224 0.80 SYK (0.49) PIN1EGFRMEN1KMT2AIGF1R
SCHEMBL15585197 0.80 MAPT (0.53) PIN1MEN1KMT2AMAPTMAPK1
SCHEMBL24654519 0.79 PIN1 (0.57) PIN1EGFRBCL6MEN1KMT2A
SCHEMBL5259406 0.79 PIN1 (0.57) PIN1EGFRBCL6MEN1KMT2A
SCHEMBL1774193 0.79 IGF1R (0.68) PIN1EGFRBCL6MEN1KMT2A
SCHEMBL16684787 0.79 PIN1 (0.57) PIN1EGFRBCL6MEN1KMT2A
SCHEMBL4119766 0.79 AURKA (0.68) PIN1EGFRBCL6JAK2IGF1R
SCHEMBL30656321 0.79 CCNA2 (0.46) PIN1MEN1KMT2ACDK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 WO disclosed
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 WO disclosed
CN-1285580-C Pyrimidine compounds ASTRAZENECA UK LTD (SE) 2006-11-22 CN disclosed
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP disclosed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 US disclosed
CN-1335838-A Pyrimidine compounds ASTRAZENECA UK LTD (SE) 2002-02-13 CN disclosed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 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 (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-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 PIN1 925/4885EGFR 535/4885BCL6 543/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 PIN1 579/4885EGFR 534/4885BCL6 1085/4885

“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.