SCHEMBL3100970

SCHEMBL3100970

CCNC(=O)c1ccc(-n2nnc(C(=O)NCc3cc(C)n(C)n3)c2COc2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ADORA2A P29274 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ GABRA5 P31644 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ SLC5A7 Q9GZV3 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL3120079 0.86 CCR1 (0.45) CCR1CYP2C9BRD4ROCK2SMN1; SMN2
SCHEMBL3112849 0.84 BRD4 (0.41) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3109483 0.84 SPHK2 (0.46) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL3111639 0.84 SPHK2 (0.40) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3111782 0.83 MAPK1 (0.39) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3114716 0.83 EGLN1 (0.38) ADORA2AHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3115173 0.83 EGLN1 (0.38) ADORA2AHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3117077 0.83 MAOB (0.42) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3111709 0.83 MAPT (0.44) RAB9AHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3109310 0.83 HPGD (0.44) NPC1RAB9AHPGDALDH1A1CYP1A2

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
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 NPC1 2145/4885RAB9A 2959/4885ADORA2A 676/4885

“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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