SCHEMBL8780980

SCHEMBL8780980

c1ccc(-c2ccccc2-c2cnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
AKT1 P31749 2/20 0.41
AKT2 P31751 1/20 0.41
LMNA P02545 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.40
DCUN1D2 Q6PH85 1/20 0.40
NISCH Q9Y2I1 1/20 0.38
RPS6KA3 P51812 3/20 0.37
FGFR1 P11362 2/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 1/20 0.37
TNK2 Q07912 1/20 0.37

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
SCHEMBL15288191 0.89 PLK4 (0.36) METAP2AKT1AKT2LMNAPDGFRA
SCHEMBL29178051 0.85 PTGES (0.42) METAP2AKT1AKT2LMNAFGFR1
SCHEMBL10018 0.83 SCN4A (0.46) AKT1AKT2LMNASCN4AALDH1A1
SCHEMBL17283676 0.79 SCN4A (0.43) AKT1AKT2FGFR1CDK5CLK4
SCHEMBL4095775 0.79 PTGS2 (0.43) PIM1SCN4AALDH1A1HSD17B10CYP2A6
SCHEMBL30568910 0.78 METAP2 (0.38) METAP2AKT1AKT2LMNARPS6KA3
SCHEMBL3175390 0.77 SCN4A (0.45) METAP2AKT1AKT2LMNASCN4A
SCHEMBL5020238 0.76 PBRM1 (0.43) LMNADCUN1D1ALDH1A1HSD17B10HPGD
SCHEMBL5020276 0.76 IDO1 (0.43) DCUN1D1NISCHALDH1A1HPGDIDO1
SCHEMBL5020179 0.76 RAB9A (0.44) METAP2LMNADCUN1D1NISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 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 (3 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885AKT1 4709/4885AKT2 4722/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885AKT1 4709/4885AKT2 4722/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885AKT1 4709/4885AKT2 4722/4885

“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.