SCHEMBL16693603

SCHEMBL16693603

Cc1cn(C)c(C(=O)Nc2cccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 14/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL16693604 0.84 RAB9A (0.50) SMN1; SMN2LMNATSHRNPC1RAB9A
SCHEMBL16691854 0.83 NAMPT (0.60) NAMPTSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL26725267 0.76 BACE1 (0.50) SMN1; SMN2LMNATP53NPC1RAB9A
SCHEMBL20582644 0.76 LMNA (0.53) NAMPTSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL16693550 0.76 NAMPT (0.64) NAMPTSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL9906904 0.73 RAB9A (0.65) NAMPTSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL31022619 0.73 NAMPT (0.66) NAMPTSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL19313222 0.73 TGM2 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1399969 0.72 SMN1; SMN2 (0.53) NAMPTSMN1; SMN2ALDH1A1LMNAHIF1A
SCHEMBL790699 0.71 NAMPT (0.73) NAMPTSMN1; SMN2LMNAHIF1ANPC1

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-9321774-B2 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2016-04-26 — — US disclosed
US-20150126495-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-07 — — 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-20150126495-A1 PYRROLOBENZODIAZEPINES CHRM1, CHRM2, CHRM3 NAMPT 4373/4885SMN1; SMN2 1246/4885ALDH1A1 3148/4885

“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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