SCHEMBL2780888

SCHEMBL2780888

COc1cccc(C)c1CNC(=N)Nc1cccc(C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
EZH2 Q15910 2/20 0.34
KMT2A Q03164 2/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
MTNR1B P49286 1/20 0.33
PKM P14618 1/20 0.33
CTSK P43235 1/20 0.33
TYK2 P29597 1/20 0.33
CCR6 P51684 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 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
Acetic Acid SCHEMBL2782085 0.95 GRM5 (0.38) GRM5RXFP1EZH2KMT2AEED
SCHEMBL2782760 0.93 RXFP1 (0.38) GRM5RXFP1KMT2ANPC1RAB9A
Acetic Acid SCHEMBL2780357 0.88 RXFP1 (0.39) GRM5RXFP1KMT2ANPC1MAPT
SCHEMBL2782265 0.88 MAPK1 (0.41) GRM5RXFP1EZH2EEDSUZ12
SCHEMBL2781414 0.88 LMNA (0.39) GRM5RXFP1KMT2AMAPTTYK2
SCHEMBL2778559 0.84 ALDH1A1 (0.44) KMT2ANPC1MAPTRAB9APKM
Acetic Acid SCHEMBL2781987 0.84 RIPK1 (0.44) GRM5RXFP1KMT2AMEN1ROCK2
Acetic Acid SCHEMBL2783634 0.84 LMNA (0.42) GRM5RXFP1KMT2AMAPTTYK2
SCHEMBL2779640 0.83 RXFP1 (0.37) GRM5RXFP1EZH2KMT2AEED
SCHEMBL2780807 0.81 HCRTR1 (0.39) KMT2AMEN1ROCK2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E GRM5 13/4885RXFP1 2509/4885EZH2 4830/4885

“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.