SCHEMBL4620787

SCHEMBL4620787

NNC(=O)c1cn2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
RAB9A P51151 8/20 0.68
NPC1 O15118 7/20 0.68
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66
KDM4E B2RXH2 5/20 0.58
PKM P14618 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.54
METTL3 Q86U44 1/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
ROCK1 Q13464 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL169467 0.86 MAPT (0.76) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL15924280 0.84 MAPT (0.72) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL174711 0.81 PTGS1 (0.72) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL2468923 0.81 RAB9A (1.00) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL21378607 0.81 CYP1A2 (0.68) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL31295578 0.81 MAPT (0.68) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL31040086 0.81 MAPT (0.68) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL16403324 0.80 MAPT (0.67) MAPTCYP1A2CYP3A4RAB9ANPC1
Hydrochloric Acid SCHEMBL30164316 0.80 PTGS1 (0.70) MAPTCYP1A2CYP3A4RAB9ANPC1
SCHEMBL118449 0.80 PTGS1 (1.00) MAPTCYP1A2CYP3A4RAB9ANPC1

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
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 EP disclosed
WO-2024223907-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS UNIVERSITAT DE BARCELONA (ES) 2024-10-31 WO disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO disclosed
US-4794120-A BACTERICIDES, FUNGICIDES SYNTHELABO (FR) 1988-12-27 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 (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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4808/4885CYP1A2 552/4885CYP3A4 533/4885

“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.