SCHEMBL676824

SCHEMBL676824

C=C(c1ccccc1)c1ccc2[nH]c3nc(Cl)ccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDR P35968 5/20 0.41
CHEK1 O14757 1/20 0.41
CA5A P35218 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.35
FGFR1 P11362 2/20 0.33
GRIN2D O15399 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
SCHEMBL676477 0.85 KDR (0.41) KDM4ELMNAHSD17B10KDRCHEK1
SCHEMBL3666125 0.85 KCNQ3 (0.42) KDM4EPKMTSHRHSD17B10ALDH1A1
SCHEMBL676378 0.84 ALDH1A1 (0.45) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL675228 0.84 LMNA (0.36) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL698442 0.81 KDR (0.39) KDM4EADORA1KDRCHEK1CA5A
SCHEMBL676197 0.81 KIF11 (0.48) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL11860308 0.80 KDR (0.46) KDM4ELMNAHSD17B10KDRCHEK1
SCHEMBL3664375 0.79 MAP2 (0.43) KDM4EHSD17B10KDRCHEK1GRIN2D
SCHEMBL675919 0.76 KDM4E (0.54) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL3669225 0.75 AURKA (0.47) KDRCHEK1

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 KDM4E 2789/4885GMNN 2138/4885LMNA 1863/4885

“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.