SCHEMBL7787705

SCHEMBL7787705

N#Cc1ccc2nc(N3CCC(O)CC3)nc(Cc3ccc4c(c3)OCO4)c2c1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
LTB4R Q15722 1/20 0.40
HSP90AB1 P08238 10/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL7796197 0.87 PDE4A (0.44) LTB4RHSP90AB1PDE4APDE4BPDE4C
SCHEMBL7796288 0.81 PDE5A (0.45) PDE2APDE5AKDM4EALDH1A1
SCHEMBL7796184 0.80 LTB4R (0.44) LTB4RHSP90AB1CDC25ACDC25BKDM4E
SCHEMBL149749 0.77 PDE4A (0.57) LTB4RHSP90AB1PDE4APDE4BPDE4C
SCHEMBL7794732 0.77 PDE4A (0.49) LTB4RHSP90AB1PDE4APDE4BPDE4C
SCHEMBL29801535 0.77 LTB4R (0.43) LTB4RHSP90AB1PDE4APDE4BPDE4C
SCHEMBL7796503 0.77 PDE4A (0.53) LTB4RHSP90AB1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL28844121 0.77 PDE4A (0.57) LTB4RHSP90AB1PDE4APDE4BPDE4C
SCHEMBL27379808 0.76 LTB4R (0.43) CTSLLTB4RHSP90AB1PDE4APDE4B
SCHEMBL2232147 0.76 PDE5A (0.58) LTB4RHSP90AB1PDE4APDE4BPDE4C

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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 CTSL 1068/4885LTB4R 1536/4885HSP90AB1 2725/4885

“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.