SCHEMBL2780573

SCHEMBL2780573

N=C(N)Nc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
PTPN11 Q06124 1/20 0.56
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
FERMT2 Q96AC1 1/20 0.53
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
PDPK1 O15530 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
CDK1 P06493 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
CSNK1D P48730 1/20 0.50

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
SCHEMBL11233622 0.88 MEN1 (0.62) MEN1KMT2AKDM4EALDH1A1HDAC6
SCHEMBL1902196 0.84 PTPN1 (0.67) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL4513912 0.83 PTPN1 (0.56) PTPN1PTPN11HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL7369035 0.83 PTPN1 (0.65) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL4513908 0.79 PTPN1 (0.56) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL27579461 0.79 PLK4 (0.73) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL7370108 0.77 PTPN1 (0.67) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL5175123 0.76 PTPN1 (0.57) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL13113090 0.76 MEN1 (0.79) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL248690 0.76 HTR1A (0.63) PTPN1PTPN11HTR1AADRA1DADRA1A

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 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
US-4839366-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC CHIESI FARMACEUTICI S.P.A. (IT) 1989-06-13 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 PTPN1 3832/4885PTPN11 4251/4885HTR1A 4/4885

“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.