SCHEMBL2070530

SCHEMBL2070530

O=C(NC1CCN(c2cnccn2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.66
SMO Q99835 1/20 0.49
USP30 Q70CQ3 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GRM5 P41594 2/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
MAP4K4 O95819 1/20 0.44
GABRA5 P31644 2/20 0.44
SLC6A7 Q99884 1/20 0.43

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
SCHEMBL2070224 0.87 HPGDS (0.70) HPGDSUSP30GRM5MAP4K4GABRA5
SCHEMBL2071398 0.86 HPGDS (0.65) HPGDSSMOUSP30GRM5CKS1B
SCHEMBL2070824 0.86 HPGDS (0.67) HPGDSSMOUSP30CKS1BSKP1
SCHEMBL2072845 0.85 HPGDS (0.66) HPGDSSMOUSP30MAP4K4
SCHEMBL2070537 0.85 HPGDS (0.66) HPGDSUSP30GRM5CKS1BSKP1
SCHEMBL2072029 0.84 HPGDS (0.65) HPGDSSMOUSP30GRM5
SCHEMBL14190145 0.84 HPGDS (0.75) HPGDSUSP30GRM5MAP4K4GABRA5
SCHEMBL1543340 0.84 HPGDS (0.74) HPGDSUSP30GRM5MAP4K4GABRA5
SCHEMBL2070459 0.84 HPGDS (0.64) HPGDSUSP30GRM5CKS1BSKP1
SCHEMBL2072921 0.83 HPGDS (0.74) HPGDSUSP30GRM5MAP4K4GABRA5

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 984/4885SMO 1387/4885USP30 4416/4885

“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.