SCHEMBL674901

SCHEMBL674901

COc1cccc(Nc2cnc3[nH]c4ccccc4c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 6/20 0.54
DYRK1A Q13627 5/20 0.54
PTK6 Q13882 2/20 0.50
EGFR P00533 2/20 0.50
DYRK3 O43781 1/20 0.50
MAP4K4 O95819 1/20 0.50
PDGFRA P16234 1/20 0.50
LTK P29376 1/20 0.50
GRK5 P34947 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
CDK8 P49336 1/20 0.50
CDK7 P50613 1/20 0.50
IRAK1 P51617 1/20 0.50
NEK4 P51957 1/20 0.50
LIMK1 P53667 1/20 0.50
ACVR1 Q04771 1/20 0.50
TNK2 Q07912 1/20 0.50
MAPK14 Q16539 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL675516 0.83 EGFR (0.51) DYRK1BDYRK1APTK6EGFRACVR1
SCHEMBL676329 0.83 DYRK1B (0.49) DYRK1BDYRK1APTK6EGFRKDR
SCHEMBL16241862 0.82 DYRK1B (0.45) DYRK1BDYRK1APTK6EGFRDYRK3
SCHEMBL17919664 0.79 KDM4E (0.47) ABCG2MEN1KMT2AMAPTCYP1A2
SCHEMBL675375 0.78 PTK6 (0.79) PTK6EGFRACVR1ERBB2
SCHEMBL17919610 0.78 TUBB4A (0.47) ABCG2MEN1KMT2AMAPTIDO1
SCHEMBL17919830 0.77 KDM4E (0.45) PTK6ABCG2MEN1KMT2AMAPT
SCHEMBL17919587 0.76 VNN1 (0.53) MAPK14MEN1KMT2AMAPTNPC1
SCHEMBL17919791 0.76 TUBB4A (0.47) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL17919615 0.76 VDR (0.47) MEN1KMT2AMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820165-B Alpha-carboline compound, preparation method and application thereof 中国科学院上海药物研究所 2021-05-04 CN disclosed
WO-2016110237-A1 Α-CARBOLINE COMPOUND , PREPARATION METHOD THEREFOR AND USES THEREOF 中国科学院上海药物研究所 2016-07-14 WO disclosed
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-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-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
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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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
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 DYRK1B 2552/4885DYRK1A 2409/4885PTK6 2466/4885

“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.