SCHEMBL979313

SCHEMBL979313

CSc1cnc2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.45
YTHDC1 Q96MU7 1/20 0.43
ADORA2A P29274 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TNF P01375 1/20 0.41
CYP11B1 P15538 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
SCHEMBL975886 0.78 ADORA2A (0.48) METYTHDC1ADORA2API4KAPI4K2B
SCHEMBL977190 0.77 POLB (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL977729 0.69 MTOR (0.59) ALDH1A1MEN1HTTKMT2APNP
SCHEMBL7205020 0.68 PDE4A (0.62) YTHDC1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL782938 0.65 YTHDC1 (0.53) YTHDC1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL28290149 0.65 CYP11B1 (0.53) METYTHDC1ADORA2API4KAPI4K2B
SCHEMBL978299 0.65 ALDH1A1 (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL16044462 0.64 MET (0.46) METCYP11B1CYP11B2
SCHEMBL7815689 0.64 CYP11B1 (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL3657324 0.64 CYP11B1 (0.51) YTHDC1ADORA2API4KAPI4K2BPI4K2A

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-7956056-B2 Certain 1H-imidazo[4,5-B]pyrazin-2(3H)-ones and 1H-imidazo[4,5-B]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2011-06-07 US disclosed
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 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-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 MET 3787/4885YTHDC1 3748/4885ADORA2A 2559/4885

“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.