SCHEMBL11424892

SCHEMBL11424892

CCC(C)c1nnc(N)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BRD4 O60885 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
SCHEMBL20828428 0.81 KMT2A (0.46) KMT2AALDH1A1GAACYP2C9CYP2C19
SCHEMBL18768237 0.77 LMNA (0.38) KMT2AALDH1A1GAACYP2C9CYP2C19
SCHEMBL11723964 0.77 KMT2A (0.42) KMT2AALDH1A1GAACYP2C9CYP2C19
SCHEMBL293613 0.77
SCHEMBL3901621 0.76 KMT2A (0.42) KMT2AALDH1A1GAACYP2C9CYP2C19
SCHEMBL3905830 0.76 KMT2A (0.42) KMT2AALDH1A1GAACYP2C9CYP2C19
SCHEMBL12388124 0.76 POLB (0.35) ALDH1A1SMN1; SMN2POLBLMNATLR8
SCHEMBL10191818 0.76 POLB (0.35) ALDH1A1SMN1; SMN2POLBLMNATLR8
SCHEMBL24073941 0.75
Hydrochloric Acid SCHEMBL2968732 0.75 KMT2A (0.52) KMT2AALDH1A1GAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
CN-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
CN-104903320-A Nitrogen-containing heterocylic compound or salt thereof FUJIFILM CORP 2015-09-09 CN disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 WO disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 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 (2 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3143/4885ALDH1A1 2533/4885GAA 4497/4885
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN KMT2A 967/4885ALDH1A1 1595/4885GAA 4057/4885

“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.