SCHEMBL1606367

SCHEMBL1606367

N#Cc1cncc(-c2cc3ccc(Cl)cc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.57
CDK5R1 Q15078 8/20 0.57
CYP19A1 P11511 4/20 0.46
PSMB8 P28062 1/20 0.41
IDH1 O75874 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL7951268 0.84 CDK5 (0.54) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL1606038 0.79 CDK5 (0.49) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL20337745 0.78 ALDH1A1 (0.47) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL1606659 0.76 CDK5 (0.46) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL1606073 0.76 CDK5 (0.46) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL1605273 0.74 CYP19A1 (0.68) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL1606949 0.73 CYP11B1 (0.48) CDK5CDK5R1CYP19A1KDM4EMEN1
SCHEMBL31195864 0.72 CDK5 (0.50) CDK5CDK5R1CYP19A1ITK
SCHEMBL10413632 0.70 KMT2A (0.74) CYP19A1KDM4EMEN1NPC1ALDH1A1
SCHEMBL11036440 0.69 CYP19A1 (0.63) CDK5CDK5R1CYP19A1IDH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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 (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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK5 2743/4885CDK5R1 2894/4885CYP19A1 68/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK5 2743/4885CDK5R1 2894/4885CYP19A1 68/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK5 2464/4885CDK5R1 2947/4885CYP19A1 55/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CDK5 2464/4885CDK5R1 2947/4885CYP19A1 55/4885

“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.