SCHEMBL3397406

SCHEMBL3397406

Cc1cc(N)cnc1N1CCNC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.39
HDAC1 Q13547 1/20 0.39
LATS1 O95835 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
CSNK1E P49674 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
PIM1 P11309 3/20 0.34
PIM2 Q9P1W9 2/20 0.34
PIM3 Q86V86 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL20135299 0.86 LATS1 (0.39) PRKCQHDAC1LATS1JAK2JAK1
Hydrochloric Acid SCHEMBL29689044 0.84 LATS1 (0.38) PRKCQHDAC1LATS1JAK2JAK1
SCHEMBL3396871 0.80 CHRNB2 (0.38) PIM1TRPV1HRH4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27741482 0.78 ALDH1A1 (0.43) PRKCQHDAC1LATS1CDK4CCND1
SCHEMBL12235999 0.75 PIK3CA (0.47) LATS1
SCHEMBL3401617 0.75 GRM5 (0.34) FLT3
SCHEMBL14782147 0.74 ALDH1A1 (0.47) TRPV1HRH4
SCHEMBL14784205 0.74 ALDH1A1 (0.43) TRPV1HRH4
SCHEMBL22803864 0.73 CHRM4 (0.39) TRPV1
SCHEMBL23623614 0.72 TRPV1 (0.38) TRPV1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 PRKCQ 492/4885HDAC1 1109/4885LATS1 329/4885

“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.