SCHEMBL13779889

SCHEMBL13779889

Cc1nc(C)n2nnnc2c1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.34
PIM1 P11309 5/20 0.34
ACVR1 Q04771 2/20 0.33
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15868903 0.66 ALK (0.32)
SCHEMBL10126430 0.63 POLB (0.44) POLBMEN1CYP1A2KMT2A
SCHEMBL31517757 0.61 POLB (0.45) POLBMEN1CYP1A2KMT2A
SCHEMBL29868008 0.61 POLB (0.42) POLBMEN1KMT2A
SCHEMBL8828513 0.60 KMT2A (0.49) POLBMEN1CYP1A2KMT2A
SCHEMBL18704234 0.58 PDPK1 (0.43) POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL27468195 0.58 KMT2A (0.47) POLBMEN1CYP1A2KMT2A
SCHEMBL13780200 0.57 KDM4E (0.40) POLBMEN1KMT2A
SCHEMBL13212446 0.57 GAA (0.39)
SCHEMBL14353515 0.56 POLB (0.69) POLBMEN1CYP1A2CYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 NTRK1 4394/4885PIM1 1867/4885ACVR1 854/4885

“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.