SCHEMBL15928752

SCHEMBL15928752

CCCCCCOCCCCCCCCNc1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
DNM2 P50570 5/20 0.46
HPGD P15428 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MERTK Q12866 3/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT3 P36888 2/20 0.40
TYRO3 Q06418 2/20 0.40
GAS6 Q14393 2/20 0.40
AXL P30530 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL10532570 0.89 ALDH1A1 (0.60) ALDH1A1DNM2HPGDKCNH3NPSR1
SCHEMBL23610609 0.89 ALDH1A1 (0.60) ALDH1A1DNM2HPGDKCNH3NPSR1
SCHEMBL658589 0.88 ALDH1A1 (0.62) ALDH1A1DNM2HPGDKCNH3NPSR1
SCHEMBL6490227 0.82 ALDH1A1 (0.65) ALDH1A1DNM2HPGDKCNH3MERTK
SCHEMBL15923432 0.81 ALOX12 (0.52) DNM2NPSR1HTTS1PR2LMNA
SCHEMBL8993775 0.80 ALDH1A1 (0.48) ALDH1A1DNM2HPGDKCNH3
SCHEMBL8993792 0.80 ALDH1A1 (0.48) ALDH1A1DNM2HPGDKCNH3
SCHEMBL14441526 0.79 KMT2A (0.51) DNM2KCNH3NPSR1MAPTHTT
SCHEMBL14441523 0.79 KMT2A (0.51) DNM2KCNH3NPSR1MAPTHTT
SCHEMBL14441527 0.79 KMT2A (0.51) DNM2KCNH3NPSR1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2021-06-03 US disclosed
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity WELLSTAT THERAPEUTICS CORPORATION (US) 2021-03-02 US disclosed
EP-3632426-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY Wellstat Therapeutics Corporation (US) 2020-04-08 EP disclosed
EP-2950649-B1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY WELLSTAT THERAPEUTICS CORP (US) 2020-03-04 EP disclosed
US-20190194193-A1 AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2019-06-27 US disclosed
US-10030015-B2 Amine compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity WELLSTAT THERAPEUTICS CORPORATION (US) 2018-07-24 US disclosed
US-20150361077-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2015-12-17 US disclosed
WO-2014120995-A2 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY WELLSTAT THERAPEUTICS CORPORATION (US) 2014-08-07 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 (5 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-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY NOD1, NLRP3, AADAC ALDH1A1 2980/4885DNM2 3514/4885HPGD 3115/4885
US-20190194193-A1 AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AAAS, AADAC, NFKBIA ALDH1A1 3402/4885DNM2 2846/4885HPGD 3378/4885
US-10030015-B2 Amine compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity AADAC, CASP1, AAAS ALDH1A1 2393/4885DNM2 3527/4885HPGD 3323/4885
US-20150361077-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AADAC, CASP1, AAAS ALDH1A1 2393/4885DNM2 3527/4885HPGD 3323/4885
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity AAAS, AADAC, NFKBIA ALDH1A1 3402/4885DNM2 2846/4885HPGD 3378/4885

“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.