SCHEMBL18451073

SCHEMBL18451073

Brc1cnc(C2=CCCC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ PSMB5 P28074 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL20187986 0.79 CASP3 (0.41) TDP1PDGFRBPDGFRAPSMB5PPARA
SCHEMBL10382864 0.76 PPARA (0.39) TDP1PDGFRBPDGFRAPPARACASP3
SCHEMBL20188885 0.73 CASP3 (0.47) TDP1PDGFRBPDGFRAPSMB5CASP3
SCHEMBL15260158 0.71 PIK3CA (0.39) CDK2
SCHEMBL18015411 0.69 TDP1 (0.53) TDP1PSMB5CASP3SENP8SENP7
SCHEMBL21614488 0.68 QDPR (0.45) —
SCHEMBL604266 0.68 TYMP (0.40) TDP1PDGFRBPDGFRAPSMB5PPARA
SCHEMBL15048839 0.68 TYMP (0.40) TDP1PDGFRBPDGFRAPSMB5PPARA
SCHEMBL21055801 0.67 TDP1 (0.50) TDP1PDGFRBPDGFRAPPARACASP3
SCHEMBL3583190 0.67 HTR2C (0.50) PDGFRBPDGFRAPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137547-B Heterocyclic compounds useful as TNF alpha modulators 百时美施贵宝公司 2021-11-12 — — CN disclosed
US-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-15 — — US disclosed
US-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-15 — — US disclosed
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — US disclosed
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — US disclosed
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — US disclosed
EP-3331871-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA Bristol-Myers Squibb Company (US) 2018-06-13 — — EP disclosed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO 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-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha TNF, TNFRSF9, TNFRSF1A TDP1 3340/4885PDGFRB 1784/4885PDGFRA 2503/4885
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA TNF, TNFRSF9, TNFRSF1A TDP1 3340/4885PDGFRB 1784/4885PDGFRA 2503/4885

“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.

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