SCHEMBL17859384

SCHEMBL17859384

COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(C)cc3)nc21

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 19/20 0.88
BTK Q06187 3/20 0.75
LCK P06239 2/20 0.75
KDR P35968 1/20 0.75
JAK3 P52333 1/20 0.75
TEK Q02763 1/20 0.75

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
SCHEMBL30338308 0.88 TNK2 (0.87) TNK2BTKLCKKDRJAK3
SCHEMBL2949506 0.88 TNK2 (0.87) TNK2BTKLCKKDRJAK3
SCHEMBL30338625 0.88 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL30339004 0.85 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL2958052 0.85 TNK2 (0.84) TNK2BTKLCKKDRJAK3
SCHEMBL30338409 0.85 TNK2 (0.84) TNK2BTKLCKKDRJAK3
SCHEMBL4754683 0.84 TNK2 (0.79) TNK2BTKLCKKDRJAK3
SCHEMBL30338403 0.81 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL30338571 0.80 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL30338621 0.80 TNK2 (1.00) TNK2BTKLCKKDRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 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-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 TNK2 3/4885BTK 448/4885LCK 148/4885

“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.