SCHEMBL136858

SCHEMBL136858

CCN1CCC(CNc2nn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cc2C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.62
PIM2 Q9P1W9 4/20 0.51
KCNH2 Q12809 3/20 0.51
PIM3 Q86V86 3/20 0.51
FLT3 P36888 2/20 0.51
GAK O14976 1/20 0.51
STK10 O94804 1/20 0.51
YES1 P07947 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
CSNK2A2 P19784 1/20 0.51
ACVR1 Q04771 1/20 0.51
PKN1 Q16512 1/20 0.51
HASPIN Q8TF76 1/20 0.51
SIK2 Q9H0K1 1/20 0.51
SLK Q9H2G2 1/20 0.51
BMP2K Q9NSY1 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
RPS6KA6 Q9UK32 1/20 0.51
IRAK3 Q9Y616 1/20 0.51

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
SCHEMBL102785 0.91 PIM1 (0.77) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL136857 0.85 PIM1 (0.55) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL102503 0.82 PIM1 (0.76) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL13168183 0.80 PIM1 (0.77) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL103050 0.77 PIM1 (1.00) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL102400 0.75 PIM1 (0.75) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL102413 0.74 PIM1 (0.81) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL102505 0.73 PIM1 (0.73) PIM1PIM2KCNH2PIM3FLT3
SCHEMBL3871980 0.71 PIM1 (0.54) PIM1PIM2KCNH2PIM3FLT3
Sgi-1776 SCHEMBL102498 0.68 PIM1 (1.00) PIM1PIM2KCNH2PIM3FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086979-B1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2015-06-03 EP disclosed
US-8710057-B2 Imidazo[1,2-B]pyridazine and pyrazolo[1 .5-A]pyrimidine derivatives and their use as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2011-11-17 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 US disclosed
EP-2086979-A2 IMIDAZOÝ1,2-B¨PYRIDAZINE AND PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2009-08-12 EP disclosed
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-10-23 US disclosed
WO-2008058126-A2 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-15 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885KCNH2 1556/4885
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885KCNH2 1556/4885
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885KCNH2 1408/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885KCNH2 1408/4885

“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.