SCHEMBL15940871

SCHEMBL15940871

c1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4ccccc4n23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 3/20 0.41
KDR P35968 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
GSK3B P49841 2/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL18897831 0.83 KDM4E (0.43) CYP1A2CYP3A4CYP2D6KMT2AKDR
SCHEMBL13131268 0.78 KDM4E (0.48) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL2818115 0.78 TYMS (0.58) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL2817520 0.78 ADORA2A (0.52) CYP1A2CYP3A4CYP2D6KMT2ADYRK1A
SCHEMBL2816677 0.75 HTR2C (0.51) KMT2ALCKALDH1A1KDM4EMEN1
SCHEMBL2817449 0.75 IKBKB (0.50) CYP1A2KMT2AALDH1A1KDM4EMEN1
SCHEMBL16482324 0.73 POLB (0.42) KMT2AKDRLCKFYNGSK3B
SCHEMBL5401331 0.72 IKBKB (0.45) CYP1A2CYP3A4CYP2D6LCKFLT3
SCHEMBL5401324 0.72 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6KMT2AKDR
SCHEMBL20876001 0.71 RAB9A (0.56) CYP1A2CYP3A4CYP2D6KDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
EP-2953935-A2 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-12-16 EP disclosed
WO-2014122407-A2 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-14 WO disclosed
WO-2014122407-A2 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-14 WO disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 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-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF NDUFS7, NDUFS3, UQCRB CYP1A2 28/4885CYP3A4 220/4885CYP2D6 159/4885

“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.