SCHEMBL18181599

SCHEMBL18181599

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3ccc(N4CCN(C)CC4)nc3)nc2N(C)C1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.73
TNK2 Q07912 6/20 0.71
MAP4K2 Q12851 6/20 0.71
JAK2 O60674 12/20 0.66
SRC P12931 10/20 0.66
ABL1 P00519 3/20 0.63
BCR P11274 1/20 0.63
BMX P51813 1/20 0.63
RIPK1 Q13546 1/20 0.63
RIPK3 Q9Y572 1/20 0.63
JAK1 P23458 2/20 0.60
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CSF1R P07333 1/20 0.59
LYN P07948 1/20 0.59
KDR P35968 1/20 0.59
MAPK9 P45984 1/20 0.59
TEK Q02763 1/20 0.59
MAPK14 Q16539 1/20 0.59

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
SCHEMBL18181683 0.94 BTK (0.71) BTKTNK2MAP4K2JAK2SRC
SCHEMBL18181684 0.93 BTK (0.70) BTKTNK2MAP4K2JAK2SRC
SCHEMBL30276313 0.93 BTK (0.70) BTKTNK2MAP4K2JAK2SRC
SCHEMBL25096735 0.93 BTK (0.69) BTKTNK2MAP4K2JAK2SRC
SCHEMBL25095605 0.92 BTK (0.69) BTKTNK2MAP4K2JAK2SRC
SCHEMBL18181534 0.91 BTK (0.81) BTKTNK2MAP4K2JAK2SRC
SCHEMBL19922805 0.88 TNK2 (0.90) TNK2MAP4K2SRCABL1BCR
SCHEMBL18181535 0.87 BTK (0.77) BTKTNK2MAP4K2JAK2SRC
SCHEMBL18181602 0.87 BTK (0.79) BTKTNK2MAP4K2JAK2SRC
SCHEMBL18181532 0.86 BTK (0.72) BTKTNK2MAP4K2JAK2SRC

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
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

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 BTK 429/4885TNK2 31/4885MAP4K2 12/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 BTK 429/4885TNK2 31/4885MAP4K2 12/4885

“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.