SCHEMBL22926673

SCHEMBL22926673

O=C(Nc1cccnc1)Nc1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 1.00
KDM4E B2RXH2 1/20 0.73
LMNA P02545 6/20 0.69
HTT P42858 2/20 0.67
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
TP53 P04637 1/20 0.66
MAPT P10636 2/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ATM Q13315 1/20 0.59
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
BRAF P15056 1/20 0.57
CSF1R P07333 1/20 0.57

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
SCHEMBL22926426 0.89 TAAR1 (0.80) TAAR1KDM4ELMNAHTTALDH1A1
SCHEMBL30051982 0.85 MEN1 (0.77) TAAR1KDM4ELMNAHTTALDH1A1
SCHEMBL9637653 0.85 MEN1 (0.77) TAAR1KDM4ELMNAHTTALDH1A1
SCHEMBL27193042 0.85 RAB9A (0.79) TAAR1LMNAMEN1KMT2ATP53
SCHEMBL30851500 0.85 RAB9A (0.79) TAAR1LMNAMEN1KMT2ATP53
SCHEMBL11100325 0.83 TAAR1 (0.71) TAAR1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL29388210 0.83 MEN1 (0.74) TAAR1KDM4ELMNAHTTALDH1A1
Bromide SCHEMBL29417998 0.83 MEN1 (0.74) TAAR1KDM4ELMNAHTTALDH1A1
SCHEMBL22926423 0.82 HTT (0.70) TAAR1KDM4ELMNAHTTALDH1A1
SCHEMBL23565666 0.82 BRAF (0.76) TAAR1LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION (CN) 2021-01-28 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 (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-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY SLC14A1, UACA, UROD TAAR1 3950/4885KDM4E 1555/4885LMNA 1676/4885

“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.