SCHEMBL12775415

SCHEMBL12775415

CC(C)(C)c1ncnc2c1ncn2CCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 8/20 0.52
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12843984 0.82 TLR7 (0.55) TLR7CYP1A2CYP2D6MAPK1TLR9
SCHEMBL12141916 0.78 TLR7 (0.52) TLR7CYP1A2CYP2D6MAPK1TLR9
SCHEMBL12775281 0.76 ADORA2A (0.60) TLR7CYP1A2CYP2D6MAPK1TLR9
SCHEMBL14347524 0.76 CYP1A2 (0.51) TLR7CYP1A2CYP2D6MAPK1TLR9
SCHEMBL12775412 0.73 PI4KA (0.51) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL21788698 0.71 ADORA2A (0.63) TLR7TLR9ADORA2AADORA2BADORA1
SCHEMBL179252 0.71 ADORA1 (0.56) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL30544745 0.69 ADORA2A (0.65) TLR7TLR9ADORA2AADORA2BADORA1
SCHEMBL12775503 0.69 PI4KA (0.39) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL10387490 0.69 TLR7 (0.44) TLR7CYP1A2CYP2D6MAPK1TLR9

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 TLR7 628/4885CYP1A2 399/4885CYP2D6 398/4885

“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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