SCHEMBL16374017

SCHEMBL16374017

OCCn1cc2c(n1)N=CNC2Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.46
BCR P11274 5/20 0.46
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA7 P36544 1/20 0.33
P2RX3 P56373 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
EPHX2 P34913 2/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 2/20 0.32

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
SCHEMBL18696282 0.80 ABL1 (0.36) ABL1BCRTP53SMN1; SMN2ALDH1A1
SCHEMBL18696180 0.64 ABL1 (0.42) ABL1BCRCHRNA7P2RX3FLT1
SCHEMBL3399307 0.63 ABL1 (1.00) ABL1BCR
SCHEMBL19666705 0.63 ABL1 (0.41) ABL1BCRCHRNA7P2RX3MEN1
SCHEMBL24390221 0.62 ABL1 (0.47) ABL1BCRLMNAMEN1KMT2A
SCHEMBL18231589 0.60 BRAF (0.51) ABL1CHRNA7NPC1RAB9AL3MBTL1
SCHEMBL6289309 0.59 MAPT (0.55) TP53SMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL249762 0.57 SCN5A (0.60)
SCHEMBL5452795 0.57 MAPT (0.51) ABL1BCRTP53SMN1; SMN2ALDH1A1
SCHEMBL20553560 0.56 ABL1 (0.45) ABL1BCRSMN1; SMN2LMNACHRNA7

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-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 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-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885TP53 82/4885

“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.