SCHEMBL1798335

SCHEMBL1798335

CCNc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
KDR P35968 1/20 0.56
RAPGEF4 Q8WZA2 1/20 0.54
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PDK1 Q15118 1/20 0.50
AR P10275 2/20 0.49
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
GRM4 Q14833 1/20 0.44
HTT P42858 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
GAA P10253 1/20 0.44
CNR2 P34972 1/20 0.44
IDO1 P14902 1/20 0.44

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
Hydrochloric Acid SCHEMBL27687287 0.98 LMNA (0.60) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL11376479 0.85 ABL1 (0.55) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL13969411 0.83 RAF1 (0.51) LMNAKDRMEN1KMT2A
SCHEMBL10689579 0.81 LMNA (0.53) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL12883455 0.80 KDR (0.57) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL3269568 0.80 AR (0.50) LMNAARGRM4IDO1
SCHEMBL1800248 0.80 AR (0.50) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL6153068 0.79 KDR (0.61) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL9558300 0.79 KDR (0.49) LMNAKDRRAPGEF4MAPTALDH1A1
SCHEMBL9558305 0.79 KDR (0.49) LMNAKDRRAPGEF4MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20170226051-A1 10-SUBSTITUTED COLCHICINOIDS AS POTENT ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-08-10 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
CN-101146776-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2008-03-19 CN disclosed
EP-1861372-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-05 EP disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006091674-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-31 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 (8 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 LMNA 1345/4885KDR 145/4885RAPGEF4 1183/4885
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 LMNA 4759/4885KDR 222/4885RAPGEF4 677/4885
US-20170226051-A1 10-SUBSTITUTED COLCHICINOIDS AS POTENT ANTICANCER AGENTS HCCS, CDC20, TOP2B LMNA 1823/4885KDR 3413/4885RAPGEF4 3996/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 LMNA 3037/4885KDR 719/4885RAPGEF4 477/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 LMNA 1466/4885KDR 127/4885RAPGEF4 1156/4885
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 LMNA 3852/4885KDR 1658/4885RAPGEF4 3286/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 LMNA 4759/4885KDR 222/4885RAPGEF4 677/4885
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGER2, PTGDR2, PTGER1 LMNA 4123/4885KDR 2904/4885RAPGEF4 1178/4885

“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.