SCHEMBL4996872

SCHEMBL4996872

c1ccc2c(c1)Cc1c-2n[nH]c1-c1ccncc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.78
CDK2 P24941 2/20 0.78
KDR P35968 5/20 0.62
CHEK1 O14757 4/20 0.55
NPC1 O15118 1/20 0.50
GSR P00390 1/20 0.48
MAPK8 P45983 2/20 0.48
MAPK9 P45984 2/20 0.48
MAPK10 P53779 1/20 0.48
PDGFRB P09619 2/20 0.43
PIM1 P11309 2/20 0.41
METAP2 P50579 1/20 0.41
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL30583253 1.00 CDK1 (0.78) CDK1CDK2KDRCHEK1NPC1
SCHEMBL6969778 0.88 CDK1 (1.00) CDK1CDK2KDRCHEK1NPC1
SCHEMBL29644972 0.88 CDK1 (1.00) CDK1CDK2KDRCHEK1NPC1
SCHEMBL8063320 0.87 NPC1 (0.65) CDK1CDK2KDRCHEK1NPC1
Methane SCHEMBL8064257 0.85 NPC1 (0.64) CDK1CDK2KDRCHEK1NPC1
SCHEMBL11867321 0.84 CDK1 (0.57) CDK1CDK2KDRCHEK1NPC1
SCHEMBL11856153 0.84 KDR (0.61) CDK1CDK2KDRCHEK1GSR
SCHEMBL11865843 0.84 KDR (0.60) CDK1CDK2KDRCHEK1GSR
SCHEMBL11861276 0.84 KDR (0.60) CDK1CDK2KDRCHEK1GSR
SCHEMBL7089501 0.84 KDR (0.60) CDK1CDK2KDRCHEK1GSR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 US disclosed
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 US disclosed
US-9763947-B2 Casein kinase 1delta (CK1delta) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-09-19 US disclosed
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2015-07-30 US disclosed
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2015-07-30 US disclosed
US-20140018540-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED 2014-01-16 US disclosed
US-20140018540-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED 2014-01-16 US disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
US-3932430-A Substituted indeno, naphtho and cyclohepta pyrazoles SANDOZ, INC. (US) 1976-01-13 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-20140018540-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS CSNK1G1, CSNK1A1, CSNK1D CDK1 36/4885CDK2 82/4885KDR 4748/4885
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS CSNK1A1, CSNK1G1, CSNK1D CDK1 31/4885CDK2 77/4885KDR 4735/4885

“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.