SCHEMBL11919081

SCHEMBL11919081

CCn1cnnc1NC(=O)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
GSK3B P49841 7/20 0.38
DYRK1A Q13627 7/20 0.38
WNT1 P04628 4/20 0.38
ULK1 O75385 2/20 0.38
FLT3 P36888 2/20 0.37
EPHX2 P34913 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
KHK P50053 1/20 0.35
KCNH2 Q12809 1/20 0.35
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35

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
SCHEMBL15219344 0.82 GSK3B (0.42) SMN1; SMN2GSK3BDYRK1AWNT1ULK1
SCHEMBL11915928 0.80 FLT3 (0.42) ALDH1A1SMN1; SMN2GSK3BDYRK1AWNT1
SCHEMBL30586416 0.68 TP53 (0.49) ULK1KHKKCNH2
SCHEMBL13619159 0.66 ULK1 (0.42) SMN1; SMN2GSK3BDYRK1AWNT1ULK1
SCHEMBL10197817 0.65 KMT2A (0.61) ALDH1A1SMN1; SMN2ULK1FLT3
SCHEMBL1018964 0.64 GNAI3 (0.64) ALDH1A1SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL11919076 0.64 SIGMAR1 (0.41) ALDH1A1SMN1; SMN2GSK3BDYRK1AFLT3
SCHEMBL5190435 0.63 ADORA1 (0.45) GSK3BDYRK1AWNT1ULK1
SCHEMBL2322149 0.63 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2FLT3EPHX2
Hydrochloric Acid SCHEMBL6803030 0.63 GNAI3 (0.67) ALDH1A1SMN1; SMN2GNAI3GNAO1GNAI1

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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 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 (2 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALDH1A1 4596/4885SMN1; SMN2 4743/4885GNAI3 577/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885SMN1; SMN2 4775/4885GNAI3 537/4885

“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.