SCHEMBL12459201

SCHEMBL12459201

NC(N)(N)c1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
NPC1 O15118 7/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MCL1 Q07820 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL28512292 0.86 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL27701238 0.85 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL31490986 0.80 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL10173106 0.80 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2141102 0.79 POLB (0.57) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL15172875 0.78 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2420144 0.78 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL29362134 0.78 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL11443651 0.78 MEN1 (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2060733 0.76 ALDH1A1 (0.61) RAB9ANPC1MAPTALDH1A1MEN1

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-8008310-B2 Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same SANOFI-AVENTIS (FR) 2011-08-30 US disclosed
US-20090163522-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same SANOFI-AVENTIS (FR) 2009-06-25 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-20090163522-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same DPYD, TYMP, TYMS RAB9A 3706/4885NPC1 3257/4885MAPT 2450/4885

“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.