SCHEMBL12371980

SCHEMBL12371980

Cc1cccc2cnc(-c3ccccc3F)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
NPC1 O15118 5/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAP4K1 Q92918 2/20 0.43
MBNL1 Q9NR56 1/20 0.42
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TUBB4A P04350 1/20 0.36

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
SCHEMBL12371974 0.84 MAP4K1 (0.44) GAAMGAMSIMGAM2MAP4K1
SCHEMBL17691567 0.77 KMT2A (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14983694 0.77 NPC1 (0.45) GAAMGAMSIMGAM2NPC1
SCHEMBL5788551 0.75 CYP1A2 (0.56) NPC1RAB9AMBNL1L3MBTL1CASP3
SCHEMBL30476648 0.75 CYP1A2 (0.56) NPC1RAB9AMBNL1L3MBTL1CASP3
SCHEMBL27441536 0.74 NPC1 (0.43) GAAMGAMSIMGAM2NPC1
SCHEMBL10091158 0.72 NPC1 (0.44) GAANPC1RAB9ASMN1; SMN2MBNL1
SCHEMBL1710481 0.71 MAP4K1 (0.38) NPC1MAP4K1PIM1PIM3PIM2
SCHEMBL1084339 0.71 CYP1A2 (0.56) GAAMGAMSIMGAM2NPC1
SCHEMBL8404376 0.70 CYP2A6 (0.39) ATMALDH1A1TP53

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-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 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-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 GAA 1238/4885MGAM 2588/4885SI 3863/4885

“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.