SCHEMBL31663776

SCHEMBL31663776

Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC[C@H]1CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
JAK2 O60674 2/20 0.40
HTR2A P28223 1/20 0.39
MALT1 Q9UDY8 6/20 0.38
ABL1 P00519 3/20 0.38
RIN1 Q13671 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31663807 0.95 NPC1 (0.44) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31663788 0.94 NPC1 (0.44) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31663765 0.94 NPC1 (0.44) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31663763 0.94 NPC1 (0.44) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29619027 0.89 NPC1 (0.42) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31663796 0.86 JAK2 (0.41) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29619014 0.84 NPC1 (0.42) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31663780 0.83 NPC1 (0.48) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31663811 0.82 FPR3 (0.39) NPC1JAK2FPR3FPR2JAK3
SCHEMBL31663797 0.80 ALOX5AP (0.47) JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2026-02-24 US disclosed
EP-4236937-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2025-07-23 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-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR2C, HTR1A, HTR2A PTPN2 2187/4885PTPN1 2124/4885PTPN6 2064/4885

“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.