SCHEMBL3329768

SCHEMBL3329768

Cc1cc(-c2cc(-c3ccc(NCC4CCNCC4)cc3C)[nH]c(=O)c2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.38
▸ CHRM1 P11229 3/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ MELK Q14680 1/20 0.34
▸ HTR6 P50406 4/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL3330960 0.85 PIM1 (0.51) BRD4ATAD2CHRM1CHRM2CHRM4
SCHEMBL3331234 0.75 PIM1 (0.50) PIM1CSNK2A2CSNK2BCCNT1CDK9
SCHEMBL3331131 0.75 PIM1 (0.48) BRD4ATAD2PIM1CSNK2A2CSNK2B
SCHEMBL14037933 0.75 JAK2 (0.33) BRD4ATAD2CHRM1CHRM2CHRM4
SCHEMBL3331554 0.72 PDE10A (0.50) PIM1CSNK2A2CSNK2B
SCHEMBL11915765 0.72 PIM1 (0.47) PIM1CSNK2A2CSNK2B
SCHEMBL3345643 0.70 CDC7 (0.51) BRD4ATAD2PIM1PIM3JAK2
SCHEMBL3345403 0.69 ITK (0.40) BRD4ATAD2PIM1CSNK2A2CSNK2B
SCHEMBL14037937 0.69 PIM1 (0.49) PIM1CSNK2A2CSNK2B
SCHEMBL14648734 0.68 PIM1 (0.46) PIM1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 — — US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 — — US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 — — US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 — — US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 — — 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 (1 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 BRD4 735/4885ATAD2 3280/4885CHRM1 763/4885

“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.

Send feedback