SCHEMBL16201831

SCHEMBL16201831

CCc1cnc(Cl)cc1Nc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ KAT2B Q92831 1/20 0.49
▸ BRD9 Q9H8M2 1/20 0.49
▸ NFKB1 P19838 1/20 0.46
▸ PTGS1 P23219 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL16201838 0.83 EGFR (0.51) BRD4KAT2BBRD9PTGS1PTGS2
SCHEMBL15058850 0.79 AURKB (0.48) RAB9ASMN1; SMN2NPC1AURKAALDH1A1
SCHEMBL4404058 0.77 SYK (0.52) RAB9ASMN1; SMN2NPC1
SCHEMBL16201835 0.76 PIK3CA (0.61) —
SCHEMBL16201834 0.72 NPC1 (0.51) NPSR1EGFRRAB9ANPC1PPARA
SCHEMBL4421499 0.71 ALDH1A1 (0.39) BRD4KAT2BBRD9NFKB1PPARA
SCHEMBL2279629 0.69 EGFR (0.59) NFKB1NPSR1EGFRNPC1RXRA
SCHEMBL9188290 0.69 NPSR1 (0.57) BRD4KAT2BBRD9NFKB1PTGS1
SCHEMBL4544871 0.68 NFKB1 (0.53) NFKB1RAB9ANPC1AURKAMAPT
SCHEMBL4544782 0.68 NFKB1 (0.54) NFKB1NPSR1RAB9ASMN1; SMN2NPC1

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-9060515-B2 Heterocyclic urea compounds BIOTA EUROPE LTD. (GB) 2015-06-23 — — US disclosed
US-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS SPERO GYRASE, INC. 2014-10-30 — — 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-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS UMPS, URB2, UROD BRD4 2488/4885KAT2B 1192/4885BRD9 2637/4885

“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.

Send feedback