SCHEMBL676843

SCHEMBL676843

C=C(c1cnc2[nH]c3ccc(-c4ccc(O)cc4)cc3c2c1)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
EGFR P00533 2/20 0.35
ALK Q9UM73 2/20 0.35
DYRK1A Q13627 4/20 0.34
DYRK1B Q9Y463 4/20 0.34
DYRK2 Q92630 3/20 0.34
CLK1 P49759 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 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
SCHEMBL3399361 0.88 ALK (0.43) ALKMEN1KMT2APIK3CA
SCHEMBL674860 0.80 SMN1; SMN2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL675106 0.80 KDR (0.36) CHEK1ALKMEN1GAAKMT2A
SCHEMBL676195 0.73 ALK (0.48) ALKGABRA1GABRG2GABRB3GABRA5
SCHEMBL3728420 0.73 GABRP (0.35) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL678785 0.72 DYRK1A (0.44) CHEK1CDK4CCND1DYRK1ADYRK1B
SCHEMBL3722919 0.70 KDM4E (0.33) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL676185 0.70 ERBB2 (0.38) EGFRALKAURKA
SCHEMBL676244 0.70 CTNNB1 (0.34) CHEK1MEN1TP53GAAKMT2A
SCHEMBL675228 0.69 LMNA (0.36) CHEK1TP53GAATSHRKMT2A

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 8 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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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
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

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 CHEK1 1744/4885CDK4 691/4885CCND1 381/4885

“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.