SCHEMBL2070818

SCHEMBL2070818

O=C(NC1CCN(c2ncccc2C(=O)N2CCOCC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.57
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
TGFBR1 P36897 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
WNT3A P56704 3/20 0.44
GABRA5 P31644 2/20 0.44
MAPK14 Q16539 1/20 0.43
PRKAA2 P54646 1/20 0.42
USP30 Q70CQ3 1/20 0.42
MAP4K4 O95819 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL2072260 0.94 HPGDS (0.61) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2070565 0.87 HPGDS (0.63) HPGDSMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2072599 0.86 HPGDS (0.60) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2072035 0.84 HPGDS (0.59) HPGDSMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2071807 0.84 HPGDS (0.61) HPGDSMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2070294 0.83 HPGDS (0.65) HPGDSMEN1KMT2AUSP30MAP4K4
SCHEMBL2070380 0.82 HPGDS (0.60) HPGDSMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2984433 0.82 HPGDS (0.63) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2984429 0.82 HPGDS (0.63) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2985442 0.82 HPGDS (0.63) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885BMPR1B 3847/4885BMPR1A 4320/4885

“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.