SCHEMBL12339802

SCHEMBL12339802

CB(O)N1CCC(Nc2cccc(-c3ccnc(Cl)n3)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
IKBKB O14920 2/20 0.37
CDK9 P50750 2/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
CAMK2D Q13557 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
PLK1 P53350 1/20 0.35
CNR1 P21554 2/20 0.35
GFER P55789 1/20 0.34
HCRTR1 O43613 1/20 0.34
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 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
SCHEMBL13309562 0.89 CARM1 (0.48) MAPTIKBKBCDK9CARM1PRMT6
SCHEMBL28253313 0.78 CNR1 (0.49) MAPTIKBKBCDK9CAMK2DPLK1
SCHEMBL29580206 0.78 CNR1 (0.49) MAPTIKBKBCDK9CAMK2DPLK1
SCHEMBL1469152 0.78 USP30 (0.49) MAPTPIM1BTK
SCHEMBL1467354 0.75 ALDH1A1 (0.52) MAPTCNR1KDM4E
SCHEMBL1467081 0.74 USP30 (0.53) CNR1GFERHCRTR1PIM1
SCHEMBL29131118 0.69 JAK2 (0.61) MAPTCDK9KDM4E
SCHEMBL30668832 0.69 JAK2 (0.61) MAPTCDK9KDM4E
SCHEMBL3758806 0.67 PLK1 (0.51) MAPTCAMK2DPLK1EGFR
SCHEMBL3756786 0.66 CARM1 (0.51) CARM1PRMT6PRMT8CAMK2DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 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 (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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE MAPT 2386/4885IKBKB 123/4885CDK9 487/4885

“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.