Sugi Predict

Sugi Predict / Compounds / SCHEMBL3636780

SCHEMBL3636780

SCHEMBL3636780

CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 1.00
▸ GHSR Q92847 13/20 0.77
▸ MEN1 O00255 1/20 0.57
▸ SLC22A1 O15245 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ DHFR P00374 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ HEXA P06865 1/20 0.57
▸ HEXB P07686 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57

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
SCHEMBL3634975 0.87 GHSR (1.00) RENGHSRMEN1SLC22A1ALDH1A1
SCHEMBL6362067 0.87 REN (0.76) RENGHSR
SCHEMBL21067383 0.81 REN (1.00) RENGHSRMEN1SLC22A1ALDH1A1
Etoprine SCHEMBL3919 0.81 DHFR (0.70) RENMEN1SLC22A1ALDH1A1DHFR
SCHEMBL3059317 0.80 NCOA1 (0.70) RENGHSRCYP2D6
SCHEMBL3636967 0.80 GHSR (1.00) RENGHSR
SCHEMBL6362071 0.79 GHSR (0.73) RENGHSR
SCHEMBL6361334 0.79 GHSR (1.00) GHSR
SCHEMBL6360495 0.79 GHSR (1.00) GHSR
SCHEMBL6361044 0.79 GHSR (1.00) RENGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 — — US claimed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 — — US claimed
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION ABUNON AB (SE) 2010-04-15 — — US disclosed
EP-2155227-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION Dickson, Suzanne L (SE) 2010-02-24 — — EP disclosed
WO-2009020419-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION DICKSON SUZANNE L (SE) 2009-02-12 — — WO disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 — — US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 — — 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 REN 1722/4885GHSR 1/4885MEN1 1738/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR REN 1809/4885GHSR 5/4885MEN1 3951/4885
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR REN 504/4885GHSR 1/4885MEN1 3464/4885

“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.