SCHEMBL3396871

SCHEMBL3396871

Cc1cc(N)cnc1N1CCNCC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PIM1 P11309 4/20 0.37
ADRB1 P08588 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT3 P36888 1/20 0.33

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
SCHEMBL22803864 0.82 CHRM4 (0.39) TRPV1
SCHEMBL3397406 0.80 PRKCQ (0.39) CHRNB2CHRNA4PIM1TRPV1HRH4
SCHEMBL22803865 0.76 TRPV1 (0.42) TRPV1FLT3
SCHEMBL30412557 0.76 TRPV1 (0.42) TRPV1FLT3
SCHEMBL26499751 0.74 TRPV1 (0.36) TRPV1ACVR1
SCHEMBL25656135 0.72 CYP1A2 (0.46) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL15728450 0.71 HRH3 (0.42) PIM1HRH4MEN1CYP1A2CYP3A4
SCHEMBL14782147 0.71 ALDH1A1 (0.47) TRPV1HRH4MEN1CYP1A2RECQL
SCHEMBL14784205 0.71 ALDH1A1 (0.43) TRPV1HRH4MEN1RECQLKMT2A
Tert-Butyl Formate SCHEMBL27915869 0.70 HRH4 (0.38) ADRB1TRPV1HRH4TGFBR1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB2 4824/4885CHRNA4 4866/4885PIM1 184/4885

“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.