SCHEMBL19688314

SCHEMBL19688314

C#CCN(Cc1ccncc1)Cc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 10/20 0.60
MAOB P27338 3/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL28453321 0.80 PYCR1 (0.72) PYCR1MAOBCYP3A4LMNAUSP2
SCHEMBL21444971 0.79 LOXL2 (0.50) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL1174217 0.78 MAOB (0.64) PYCR1MAOBCYP3A4LMNAUSP2
SCHEMBL13259183 0.74 MAOB (0.64) PYCR1MAOBCYP3A4LMNAUSP2
SCHEMBL22403817 0.73 PYCR1 (0.35) PYCR1MAOBCYP3A4LMNAUSP2
SCHEMBL27371712 0.72 HRH3 (0.63) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6637369 0.71 HRH3 (0.60) LMNAUSP2ALDH1A1HDAC8LOXL2
SCHEMBL4787627 0.71 USP2 (0.41) PYCR1MAOBCYP3A4LMNAUSP2
SCHEMBL2574518 0.70
SCHEMBL7413209 0.70 CYP1A2 (0.43) CYP3A4LMNATSHRCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241014-B2 Antimicrobial coatings and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2022-02-08 US disclosed
US-20200281205-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF NATIONAL SCIENCE FOUNDATION 2020-09-10 US disclosed
US-20180030165-A1 Polycations and Methods of Making and Using Thereof NATIONAL SCIENCE FOUNDATION 2018-02-01 US disclosed
US-20180030165-A1 Polycations and Methods of Making and Using Thereof NATIONAL SCIENCE FOUNDATION 2018-02-01 US disclosed
WO-2017210347-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2017-12-07 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 (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-20200281205-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF MPO, LPO, CUTA PYCR1 1808/4885MAOB 1193/4885CYP3A4 3484/4885
US-11241014-B2 Antimicrobial coatings and methods of making and using thereof MPO, LPO, CUTA PYCR1 1808/4885MAOB 1193/4885CYP3A4 3484/4885
US-20180030165-A1 Polycations and Methods of Making and Using Thereof POLI, PARG, PCNA PYCR1 1178/4885MAOB 3592/4885CYP3A4 4188/4885

“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.