SCHEMBL14909118

SCHEMBL14909118

NCCNc1nc(Nc2cccc3ncccc23)c(C(N)=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.48
▸ SYK P43405 8/20 0.48
▸ HTT P42858 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ FERMT2 Q96AC1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ZAP70 P43403 4/20 0.41
▸ CAMK1D Q8IU85 1/20 0.41
▸ PRKCE Q02156 2/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ BTK Q06187 1/20 0.41

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
SCHEMBL14912319 0.86 CA12 (0.49) SYKHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL10076911 0.85 PDE4B (0.46) PDE4BSYKHTTMAPTALDH1A1
SCHEMBL14909675 0.84 SYK (0.45) PDE4BSYKHTTMAPTALDH1A1
SCHEMBL14909676 0.84 SYK (0.45) PDE4BSYKHTTMAPTALDH1A1
SCHEMBL5027993 0.82 SYK (0.50) PDE4BSYKHTTMAPTCYP1A2
SCHEMBL9106928 0.82 SYK (0.50) PDE4BSYKHTTMAPTCYP1A2
SCHEMBL20473551 0.82 PDE4B (0.46) PDE4BSYKHTTMAPTALDH1A1
SCHEMBL14909754 0.82 PDE4B (0.46) PDE4BSYKHTTMAPTALDH1A1
SCHEMBL14909803 0.82 PDE4B (0.46) PDE4BSYKHTTMAPTALDH1A1
SCHEMBL14908667 0.81 SYK (0.52) SYKMAPTALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP claimed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US claimed
US-8809371-B2 — — 2014-08-19 — — US claimed
US-8772320-B2 — — 2014-07-08 — — US claimed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8772320-B2 — — 2014-07-08 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK PDE4B 1256/4885SYK 1/4885HTT 2347/4885

“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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