SCHEMBL21156100

SCHEMBL21156100

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccnc3)cn12)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.38
GRM1 Q13255 2/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
P2RX7 Q99572 1/20 0.34
PLAUR Q03405 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21156531 0.90 ALDH1A1 (0.40) ALDH1A1MKNK1MKNK2P2RX7USP2
SCHEMBL21157283 0.89 ALOX15 (0.41) ALDH1A1HTTMAPTPOLBKMT2A
SCHEMBL21113423 0.87 GPR119 (0.36) ALDH1A1GRM1MAPTMKNK1MKNK2
SCHEMBL21156122 0.86 EED (0.46) ALDH1A1MKNK1MKNK2
SCHEMBL23183904 0.85 GSK3B (0.37) ALDH1A1MKNK1MKNK2
SCHEMBL21156576 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPOLBUSP2KDM4E
SCHEMBL21157331 0.85 EED (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9MAPT
SCHEMBL21113144 0.85 RAB9A (0.42) ALDH1A1HTTMAPTPLAURMEN1
SCHEMBL21157289 0.84 EZH2 (0.44) ALDH1A1USP2ATR
SCHEMBL21157291 0.84 EED (0.43) ALDH1A1MAPTPOLBMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885HTT 4433/4885GRM1 3088/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885HTT 4433/4885GRM1 3088/4885

“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.