SCHEMBL18171848

SCHEMBL18171848

Cc1ccc(Nc2ncc3c(n2)N(C2CC2)CN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.70
MAP4K2 Q12851 9/20 0.70
ABL1 P00519 2/20 0.70
BCR P11274 1/20 0.70
BMX P51813 1/20 0.70
RIPK1 Q13546 1/20 0.70
RIPK3 Q9Y572 1/20 0.70
BTK Q06187 1/20 0.66
JAK2 O60674 10/20 0.63
JAK1 P23458 1/20 0.63
SRC P12931 8/20 0.62

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
SCHEMBL18181601 0.97 TNK2 (0.68) TNK2MAP4K2ABL1BCRBMX
SCHEMBL18181534 0.90 BTK (0.81) TNK2MAP4K2ABL1BCRBMX
SCHEMBL18171854 0.88 TNK2 (0.71) TNK2MAP4K2ABL1BCRBMX
SCHEMBL18181608 0.88 TNK2 (0.72) TNK2MAP4K2ABL1BCRBMX
SCHEMBL3130257 0.85 TNK2 (0.85) TNK2MAP4K2ABL1BCRBMX
SCHEMBL21479267 0.85 TNK2 (0.75) TNK2MAP4K2ABL1BCRBMX
SCHEMBL18171855 0.85 BTK (0.73) TNK2MAP4K2ABL1BCRBMX
SCHEMBL18181684 0.83 BTK (0.70) TNK2MAP4K2ABL1BCRBMX
SCHEMBL30276313 0.83 BTK (0.70) TNK2MAP4K2ABL1BCRBMX
SCHEMBL18181552 0.83 BTK (0.70) TNK2MAP4K2ABL1BCRBMX

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-10364247-B2 Preparation and use of novel protein kinase inhibitors RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-07-30 US disclosed
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 US disclosed
WO-2016168992-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2016-10-27 WO disclosed
WO-2016168992-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2016-10-27 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 (2 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-10364247-B2 Preparation and use of novel protein kinase inhibitors MAP3K20, MAP3K19, MAP3K5 TNK2 31/4885MAP4K2 12/4885ABL1 103/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 TNK2 31/4885MAP4K2 12/4885ABL1 103/4885

“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.