SCHEMBL5513091

SCHEMBL5513091

CCc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 8/20 0.65
CHEK1 O14757 1/20 0.60
JAK2 O60674 3/20 0.58
JAK1 P23458 3/20 0.58
TYK2 P29597 3/20 0.58
JAK3 P52333 3/20 0.58
PDPK1 O15530 5/20 0.55
CDK4 P11802 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CDK2 P24941 1/20 0.53
CCND3 P30281 1/20 0.53
WNT1 P04628 2/20 0.52
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL5510591 0.89 MAP3K8 (0.70) MAP3K8CHEK1PDPK1CDK4CCNA2
SCHEMBL7599297 0.84 MAP3K8 (0.82) MAP3K8JAK2JAK1TYK2JAK3
SCHEMBL15862395 0.83 WNT1 (0.74) MAP3K8CHEK1PDPK1CDK4CCNA2
SCHEMBL5515599 0.82 MAP3K8 (0.72) MAP3K8CHEK1PDPK1CDK4CCNA2
SCHEMBL5521430 0.82 MAP3K8 (0.79) MAP3K8CDK4CCNA2CCND1CDK2
SCHEMBL5513117 0.81 MAP3K8 (0.63) MAP3K8CHEK1JAK2JAK1TYK2
SCHEMBL5508092 0.81 MAP3K8 (0.64) MAP3K8CHEK1PDPK1CDK4CCNA2
SCHEMBL5516248 0.80 MAP3K8 (0.69) MAP3K8CHEK1PDPK1CDK4CCNA2
SCHEMBL5525238 0.79 MAP3K8 (0.68) MAP3K8CHEK1PDPK1CDK4CCNA2
SCHEMBL14493646 0.79 MAP3K8 (0.70) MAP3K8CHEK1PDPK1CDK4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP3K8 110/4885CHEK1 369/4885JAK2 359/4885

“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.