SCHEMBL7083645

SCHEMBL7083645

CCc1cc(N)cc(-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.57
MKNK2 Q9HBH9 3/20 0.57
MEN1 O00255 1/20 0.57
PSIP1 O75475 1/20 0.57
AXL P30530 1/20 0.57
EPHX2 P34913 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CYP2A6 P11509 4/20 0.48
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
DYRK1B Q9Y463 2/20 0.46
DYRK1A Q13627 1/20 0.46
DHFR P00374 1/20 0.45
TEK Q02763 1/20 0.45
BACE1 P56817 2/20 0.44
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL21442882 0.88 CYP2A6 (0.58) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12129552 0.85 EPHX2 (0.61) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL15684029 0.82 MKNK1 (0.74) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL22182761 0.82 CYP2A6 (0.50) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL8883342 0.81 EPHX2 (0.49) MKNK1MKNK2EPHX2PRMT6CYP2A6
SCHEMBL16118323 0.80 CYP2A6 (0.56) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL2759632 0.80 EPHX2 (0.68) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL7958936 0.78 MKNK1 (0.67) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL20178539 0.77 KDR (0.50) EPHX2PRMT6CYP2A6CYP3A4ALDH1A1
SCHEMBL1622170 0.75 CYP2A6 (0.67) MKNK1MKNK2MEN1EPHX2PRMT6

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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A MKNK1 676/4885MKNK2 522/4885MEN1 2522/4885

“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.