SCHEMBL19666705

SCHEMBL19666705

OCCN1CC2=C(Nc3ccc(OC(F)(F)F)cc3)N=CNC2N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.41
BCR P11274 8/20 0.41
P2RX3 P56373 1/20 0.36
CHRNA7 P36544 1/20 0.36
EPHX2 P34913 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL18696180 0.73 ABL1 (0.42) ABL1BCRP2RX3CHRNA7EPHX2
SCHEMBL19666706 0.65 ABL1 (0.54) ABL1BCR
SCHEMBL16374017 0.63 ABL1 (0.46) ABL1BCRP2RX3CHRNA7EPHX2
SCHEMBL28844993 0.60 ABL1 (0.41) ABL1BCRP2RX3CHRNA7EPHX2
SCHEMBL1923201 0.60 MAPT (0.61) ABL1BCRCHRNA7EPHX2NPC1
SCHEMBL3194551 0.60 MAPT (0.61) ABL1BCRCHRNA7EPHX2NPC1
SCHEMBL18696182 0.59 EPHX2 (0.35) ABL1BCRP2RX3CHRNA7EPHX2
SCHEMBL5452795 0.59 MAPT (0.51) ABL1BCRP2RX3EPHX2RAB9A
SCHEMBL3399307 0.58 ABL1 (1.00) ABL1BCR
SCHEMBL6289309 0.58 MAPT (0.55) EPHX2RAB9AL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-12-07 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-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 ABL1 2/4885BCR 1/4885P2RX3 4018/4885

“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.