SCHEMBL6991999

SCHEMBL6991999

CCOC(=O)c1c(N)sc2c1CCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 1.00
MAPT P10636 11/20 0.67
ALDH1A1 P00352 11/20 0.67
HPGD P15428 8/20 0.67
GAA P10253 7/20 0.67
KDM4E B2RXH2 4/20 0.67
HSD17B10 Q99714 4/20 0.67
ALOX15 P16050 3/20 0.67
MAPK1 P28482 2/20 0.67
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
POLB P06746 2/20 0.53
RECQL P46063 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FHIT P49789 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
Hydrochloric Acid SCHEMBL22392262 0.99 ADORA1 (1.00) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL2997287 0.92 ADORA1 (0.85) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL2999543 0.90 ADORA1 (0.82) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL351848 0.85 ADORA1 (0.73) ADORA1MAPTALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL351847 0.83 ADORA1 (0.74) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL1976488 0.80 MAPT (0.94) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL133642 0.80 MAPT (1.00) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL8203239 0.80 MAPT (0.72) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL1887318 0.79 ALDH1A1 (0.97) ADORA1MAPTALDH1A1HPGDGAA
SCHEMBL4090734 0.79 ALDH1A1 (0.97) ADORA1MAPTALDH1A1HPGDGAA

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-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 EP disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 US disclosed
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 US 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 (2 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-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH ADORA1 1600/4885MAPT 3678/4885ALDH1A1 352/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH ADORA1 1600/4885MAPT 3678/4885ALDH1A1 352/4885

“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.