SCHEMBL21263299

SCHEMBL21263299

Cc1nc2c(F)ccc(F)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.48
CSNK2A1 P68400 2/20 0.42
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
HTT P42858 1/20 0.37
PARP1 P09874 6/20 0.37
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.36
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL21263170 0.88 ADORA3 (0.45) ADORA3CSNK2A1ADORA1ADORA2AHTT
SCHEMBL22990169 0.88 ADORA3 (0.45) ADORA3CSNK2A1ADORA1ADORA2AHTT
SCHEMBL1170827 0.77 PTGES (0.37) HTTPARP1MAPTALDH1A1KDM4E
SCHEMBL21263255 0.74 ADORA1 (0.53) ADORA3ADORA1ADORA2AHTTALDH1A1
SCHEMBL22962073 0.74 ADORA3 (0.37) ADORA3ADORA1ADORA2AALDH1A1KDM4E
SCHEMBL331566 0.72 PARP1 (0.60) ADORA3PARP1KDM4ECYP1A2CYP2D6
SCHEMBL25710808 0.71 ALDH1A1 (0.43) ADORA3PARP1MAPTALDH1A1KDM4E
SCHEMBL5142221 0.71 PARP1 (0.59) ADORA3PARP1MAPTALDH1A1KDM4E
SCHEMBL431611 0.71 ALDH1A1 (0.43) ADORA3PARP1MAPTALDH1A1KDM4E
SCHEMBL1902643 0.71 PARP1 (0.53) HTTPARP1ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
WO-2021255086-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2021-12-23 WO disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 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-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 ADORA3 806/4885CSNK2A1 2049/4885ADORA1 934/4885

“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.