SCHEMBL676244

SCHEMBL676244

C=C(c1ccc2[nH]c3nc(C(=C)c4ccccc4F)ccc3c2c1)c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
CA5A P35218 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 3/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KMT2A Q03164 3/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHEK1 O14757 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL675228 0.87 LMNA (0.36) CTNNB1WNT3ARAB9ANPC1CA5A
SCHEMBL676477 0.81 KDR (0.41) RAB9ACA5ALMNAMAPTKMT2A
SCHEMBL3721857 0.80 GABRP (0.35) CTNNB1WNT3ARAB9ANPC1TP53
SCHEMBL674860 0.78 SMN1; SMN2 (0.38) CTNNB1WNT3ARAB9APOLBSMN1; SMN2
SCHEMBL676269 0.76 CYP2D6 (0.33) RAB9ANPC1GAAMAPTKMT2A
SCHEMBL676185 0.76 ERBB2 (0.38) POLB
SCHEMBL676840 0.74 AURKA (0.42) RAB9ANPC1
SCHEMBL675413 0.72 NPC1 (0.39) RAB9ANPC1GAAPKMMAPT
SCHEMBL3728420 0.71 GABRP (0.35) RAB9AGAAMAPTKMT2AMEN1
SCHEMBL676824 0.70 KDM4E (0.42) RAB9ANPC1CA5ALMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 CTNNB1 63/4885WNT3A 1873/4885RAB9A 2539/4885

“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.