SCHEMBL3620720

SCHEMBL3620720

Cc1cnc(Nc2cccc(C#N)c2)nc1-c1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.49
JAK3 P52333 3/20 0.49
SYK P43405 1/20 0.47
CDK1 P06493 2/20 0.47
KDR P35968 2/20 0.47
JAK2 O60674 2/20 0.47
MAOB P27338 1/20 0.45
GRM5 P41594 1/20 0.45
CDK4 P11802 2/20 0.44
CDK2 P24941 2/20 0.44
CDC7 O00311 1/20 0.43
CDK7 P50613 2/20 0.42
CCNH P51946 2/20 0.42
SLC2A1 P11166 2/20 0.41
EGFR P00533 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
IGF1R P08069 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39

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
SCHEMBL3617951 0.85 CDK1 (0.54) JAK1JAK3SYKCDK1KDR
SCHEMBL3607870 0.81 JAK1 (0.50) JAK1JAK3SYKCDK1KDR
SCHEMBL3620405 0.81 CDK1 (0.55) JAK1JAK3SYKCDK1KDR
SCHEMBL3618079 0.80 SYK (0.49) JAK1SYKCDK1KDRJAK2
SCHEMBL3619953 0.80 KDR (0.47) JAK1SYKCDK1KDRJAK2
SCHEMBL3621482 0.78 ABL1 (0.48) JAK1JAK3SYKCDK1KDR
SCHEMBL3615782 0.75 CDK1 (0.49) JAK1JAK3SYKCDK1KDR
SCHEMBL20752296 0.72 SYK (0.65) JAK1JAK3SYKJAK2MAOB
SCHEMBL3622052 0.72 CDK2 (0.54) JAK1JAK3SYKCDK1KDR
SCHEMBL3621559 0.72 CDK2 (0.54) JAK1JAK3SYKCDK1KDR

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 JAK1 3835/4885JAK3 3300/4885SYK 2976/4885

“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.