SCHEMBL17301596

SCHEMBL17301596

c1ccc(-c2nnc(-c3ccccn3)nn2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.78
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 8/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.55
PKM P14618 3/20 0.55
LMNA P02545 5/20 0.54
HIF1A Q16665 5/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CCR1 P32246 1/20 0.54
CCR5 P51681 1/20 0.54
CCR8 P51685 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
HTT P42858 2/20 0.54

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
SCHEMBL29767699 0.89 TP53 (1.00) TP53RAB9ANPC1MAPK1KDM4E
SCHEMBL30694104 0.89 TP53 (1.00) TP53RAB9ANPC1MAPK1KDM4E
SCHEMBL2852298 0.89 TP53 (1.00) TP53RAB9ANPC1MAPK1KDM4E
SCHEMBL27256804 0.84 TP53 (0.67) TP53RAB9ANPC1KDM4ETDP1
SCHEMBL22044262 0.84 TP53 (0.67) TP53RAB9ANPC1MAPK1KDM4E
SCHEMBL23203230 0.84 TP53 (0.67) TP53RAB9ANPC1MAPK1KDM4E
SCHEMBL22043746 0.84 TP53 (0.67) TP53RAB9ANPC1KDM4ETDP1
SCHEMBL28815639 0.84 TP53 (0.67) TP53RAB9ANPC1MAPK1KDM4E
SCHEMBL17301556 0.83 CYP2A6 (0.70) TP53RAB9ANPC1KDM4ETDP1
SCHEMBL5589973 0.83 KDM4E (0.78) TP53RAB9ANPC1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868038-B Compound, photoresist composition comprising the same, photoresist pattern comprising the same, and method for manufacturing the photoresist pattern 株式会社LG化学 2024-03-12 CN disclosed
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern LG CHEM, LTD. (KR) 2023-12-05 US disclosed
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern LG CHEM, LTD. (KR) 2023-12-05 US disclosed
US-20210032208-A1 COMPOUND, PHOTORESIST COMPOSITION COMPRISING SAME, PHOTORESIST PATTERN COMPRISING SAME, AND METHOD FOR MANUFACTURING PHOTORESIST PATTERN LG CHEM, LTD. (KR) 2021-02-04 US disclosed
CN-111868038-A Compound, photoresist composition comprising the same, photoresist pattern comprising the same, and method for manufacturing photoresist pattern 株式会社LG化学 2020-10-30 CN disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 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 (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-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 TP53 2777/4885RAB9A 4672/4885NPC1 4177/4885
US-20210032208-A1 COMPOUND, PHOTORESIST COMPOSITION COMPRISING SAME, PHOTORESIST PATTERN COMPRISING SAME, AND METHOD FOR MANUFACTURING PHOTORESIST PATTERN PPOX, SETD7, CRY1 TP53 2466/4885RAB9A 1593/4885NPC1 1667/4885
US-11834419-B2 Compound, photoresist composition comprising same, photoresist pattern comprising same, and method for manufacturing photoresist pattern PPOX, SETD7, CRY1 TP53 2466/4885RAB9A 1593/4885NPC1 1667/4885

“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.