SCHEMBL3617951

SCHEMBL3617951

Cc1cnc(Nc2cccc(Cl)c2)nc1-c1cccc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.54
KDR P35968 1/20 0.54
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
EIF2AK2 P19525 2/20 0.45
SYK P43405 1/20 0.45
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
EGFR P00533 1/20 0.44
GRM5 P41594 3/20 0.42
MAOB P27338 2/20 0.42
CDK2 P24941 2/20 0.42
AURKA O14965 1/20 0.42
AXL P30530 1/20 0.42
JAK3 P52333 1/20 0.42
MAOA P21397 1/20 0.42
CDK4 P11802 1/20 0.41
MAP3K14 Q99558 1/20 0.41

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
SCHEMBL3615782 0.85 CDK1 (0.49) CDK1KDRJAK2JAK1CDK7
SCHEMBL3620720 0.85 JAK1 (0.49) CDK1KDRJAK2JAK1CDK7
SCHEMBL3607870 0.84 JAK1 (0.50) CDK1KDRJAK2JAK1CDK7
SCHEMBL3620405 0.84 CDK1 (0.55) CDK1KDRJAK2JAK1CDK7
SCHEMBL3618079 0.83 SYK (0.49) CDK1KDRJAK2JAK1CDK7
SCHEMBL3619953 0.80 KDR (0.47) CDK1KDRJAK2JAK1CDK7
SCHEMBL3617870 0.80 EIF2AK2 (0.59) CDK1CDK7CCNHEIF2AK2SYK
SCHEMBL3621482 0.80 ABL1 (0.48) CDK1KDRJAK2JAK1CDK7
SCHEMBL3616045 0.79 SYK (0.52) CDK1KDRJAK2JAK1CDK7
SCHEMBL3592504 0.78 SYK (0.50) KDRJAK2JAK1EIF2AK2SYK

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-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

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 CDK1 3769/4885KDR 3785/4885JAK2 3385/4885

“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.