SCHEMBL2176041

SCHEMBL2176041

Cc1ccc(N)cc1CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SLC6A4 P31645 6/20 0.49
HTR2A P28223 1/20 0.49
CASP1 P29466 3/20 0.48
PRKCI P41743 1/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
ACHE P22303 1/20 0.44
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
PABPC1 P11940 1/20 0.41
HKDC1 Q2TB90 1/20 0.41

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
Hydrochloric Acid SCHEMBL5913639 0.98 ALDH1A1 (0.48) ALDH1A1SLC6A4HTR2ACASP1PRKCI
SCHEMBL2174004 0.85 ALDH1A1 (0.48) ALDH1A1SLC6A4HTR2ACASP1PRKCI
SCHEMBL1708813 0.84 SLC6A4 (0.50) ALDH1A1SLC6A4HTR2ACASP1PRKCI
SCHEMBL30402664 0.81 SLC6A4 (0.64) ALDH1A1SLC6A4HTR2APRKCICYP3A4
SCHEMBL4525352 0.81 SLC6A4 (0.47) ALDH1A1SLC6A4HTR2APRKCIACHE
SCHEMBL4532794 0.81 SLC6A4 (0.47) ALDH1A1SLC6A4HTR2APRKCICYP3A4
SCHEMBL3338265 0.81 PRKCI (0.69) ALDH1A1SLC6A4HTR2ACASP1PRKCI
SCHEMBL1664066 0.81 SLC6A4 (0.64) ALDH1A1SLC6A4HTR2APRKCICYP3A4
SCHEMBL29834174 0.81 PRKCI (0.69) ALDH1A1SLC6A4HTR2ACASP1PRKCI
SCHEMBL10324596 0.81 SLC6A4 (0.47) ALDH1A1SLC6A4HTR2APRKCITSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
EP-3256452-A1 INHIBITORS OF NECROPTOSIS Catalyst Therapeutics Pty Ltd. (AU) 2017-12-20 EP disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
CN-101437811-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1068178-A1 NON-PEPTIDE GnRH AGENTS AGOURON PHARMACEUTICALS, INC. (US) 2001-01-17 EP disclosed
WO-1999044987-A1 NON-PEPTIDE GnRH AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1999-09-10 WO 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885SLC6A4 478/4885HTR2A 2286/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 ALDH1A1 887/4885SLC6A4 1676/4885HTR2A 1721/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 ALDH1A1 4651/4885SLC6A4 4872/4885HTR2A 4686/4885

“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.