SCHEMBL31677841

SCHEMBL31677841

Cc1ncnc(C)c1-c1cc(NC(=O)c2ccnn2C)ccc1OCCN1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.40
HTR2C P28335 8/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
KCNH2 Q12809 2/20 0.39
WNT3A P56704 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL29619067 0.90 HTR2A (0.40) HTR2AHTR2CNPC1RAB9APKM
SCHEMBL29619066 0.90 HTR2A (0.40) HTR2AHTR2CNPC1RAB9APKM
SCHEMBL31677725 0.88 WNT3A (0.46) HTR2AHTR2CKCNH2WNT3AFLT3
SCHEMBL31677761 0.86 HTR2A (0.41) HTR2AHTR2CNPC1RAB9AWNT3A
SCHEMBL31677759 0.84 FLT3 (0.42) HTR2AHTR2CWNT3AFLT3
SCHEMBL31678111 0.81 HTR2A (0.57) HTR2AHTR2C
SCHEMBL31677751 0.81 HTR2A (0.59) HTR2AHTR2C
SCHEMBL31678112 0.80 HTR2A (0.61) HTR2AHTR2CKCNH2
SCHEMBL31677911 0.78 ESR1 (0.37) KCNH2WNT3AFLT3
SCHEMBL29619114 0.78 WNT3A (0.44) HTR2AHTR2CKCNH2WNT3AFLT3

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
US-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2025-08-28 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-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto HTR2A, HTR5A, HTR1A HTR2A 1/4885HTR2C 4/4885NPC1 2828/4885
US-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR2C, HTR1A, HTR2A HTR2A 3/4885HTR2C 1/4885NPC1 612/4885

“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.