SCHEMBL3612281

SCHEMBL3612281

NS(=O)(=O)c1cccc(Nc2cc(-c3cccc4[nH]ccc34)ncn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.62
CDK9 P50750 4/20 0.62
ABL1 P00519 2/20 0.57
BCR P11274 2/20 0.57
TNNI3K Q59H18 8/20 0.46
BRAF P15056 1/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
MAP4K4 O95819 2/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
ABL2 P42684 2/20 0.45
GSK3A P49840 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
MNAT1 P51948 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45

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
SCHEMBL3616383 0.83 IKBKB (0.56) CCNT1CDK9TNNI3KCDK1CDK2
SCHEMBL3622235 0.80 CDK2 (0.46) CCNT1CDK9TNNI3KBRAFCDK1
SCHEMBL3620659 0.78 AURKA (0.48) CCNT1CDK9CDK1CCNB1MAP4K4
SCHEMBL3614657 0.78 AURKA (0.48) CCNT1CDK9ABL1CDK1CCNB1
SCHEMBL3613811 0.77 CDK2 (0.56) CCNT1CDK9CDK1CCNB1MAP4K4
SCHEMBL3620405 0.77 CDK1 (0.55) CCNT1CDK9ABL1CDK1CCNB1
SCHEMBL4108973 0.77 CDK9 (1.00) CCNT1CDK9TNNI3KCDK1CCNB1
SCHEMBL4104699 0.76 CCNT1 (0.62) CCNT1CDK9ABL1BCRTNNI3K
SCHEMBL3620876 0.75 BMPR2 (0.56) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL4098058 0.73 CCNT1 (0.74) CCNT1CDK9CDK1CCNB1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CCNT1 3196/4885CDK9 3238/4885ABL1 3215/4885

“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.