SCHEMBL1938185

SCHEMBL1938185

CC1(C)N=C(N)N=C(N)N1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 1.00
LMNA P02545 1/20 0.97
PPP3CB P16298 1/20 0.71

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
SCHEMBL4104810 0.84 DHFR (0.73) DHFRLMNA
SCHEMBL16102719 0.84 PPP3CB (1.00) DHFRLMNAPPP3CB
Cycloguanil SCHEMBL140230 0.83 DHFR (1.00) DHFRLMNA
SCHEMBL4103257 0.83 DHFR (0.71) DHFRLMNA
SCHEMBL14577695 0.82 DHFR (0.72) DHFRLMNA
Cycloguanil SCHEMBL2700759 0.81 DHFR (0.97) DHFRLMNA
Hydrochloric Acid SCHEMBL6369976 0.81 DHFR (0.70) DHFRLMNA
SCHEMBL670885 0.81 DHFR (1.00) DHFR
SCHEMBL14577798 0.81 DHFR (1.00) DHFRLMNA
SCHEMBL14577705 0.81 DHFR (0.70) DHFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087609-B Water-in-oil emulsion containing baicalin, xanthine base, vitamin B3, and polyvalent metal cation salt 莱雅公司 2022-11-15 CN disclosed
EP-3131883-B1 5-HT2B ANTAGONISTS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2018-06-13 EP disclosed
US-20180111908-A1 5-HT2B Antagonists NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-04-26 US disclosed
US-9845298-B1 5-HT2B antagonists NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-12-19 US disclosed
US-20170349559-A1 5-HT2B Antagonists NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-12-07 US disclosed
EP-1574503-B1 2,4-Diamino-1,3,5-triazine derivative HAMARI CHEMICALS LTD (JP) 2013-03-13 EP disclosed
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE HAMARI CHEMICALS, LTD. (JP) 2011-08-25 US disclosed
EP-2332925-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE Hamari Chemicals, Ltd. (JP) 2011-06-15 EP disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-7622469-B2 2,4-diamino-1,3,5-triazine derivatives HAMARI CHEMICALS, LTD. (JP) 2009-11-24 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-7566710-B2 Dual molecules containing a peroxide derivative, synthesis and therapeutic applications thereof Centre National de la Racherche Scientifique (C.N.R.S.) (FR) 2009-07-28 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US disclosed
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS, LTD. (JP) 2006-07-13 US disclosed
EP-1574503-A1 NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE Hamari Chemicals Co., Ltd. (JP) 2005-09-14 EP disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 (9 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-20180111908-A1 5-HT2B Antagonists HTR2B, HTR5A, VIPR2 DHFR 2635/4885LMNA 1479/4885PPP3CB 1161/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA DHFR 1710/4885LMNA 117/4885PPP3CB 4835/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 DHFR 2438/4885LMNA 132/4885PPP3CB 4408/4885
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof PRDX2, PRDX1, PRDX5 DHFR 124/4885LMNA 2822/4885PPP3CB 476/4885
US-20170349559-A1 5-HT2B Antagonists HTR2B, HTR5A, VIPR2 DHFR 2635/4885LMNA 1479/4885PPP3CB 1161/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 DHFR 2941/4885LMNA 85/4885PPP3CB 4611/4885
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative DAZAP1, DCUN1D5, TLR5 DHFR 809/4885LMNA 4829/4885PPP3CB 3527/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT DHFR 642/4885LMNA 129/4885PPP3CB 4734/4885
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE QDPR, DRD4, DRD1 DHFR 38/4885LMNA 3250/4885PPP3CB 2075/4885

“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.