SCHEMBL15217629

SCHEMBL15217629

CNCc1cccc(-c2ccccn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
LMNA P02545 6/20 0.57
ALOX15 P16050 4/20 0.57
CCR1 P32246 3/20 0.57
CCR5 P51681 3/20 0.57
CCR8 P51685 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
TP53 P04637 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALPL P05186 1/20 0.57
HSP90AA1 P07900 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 2/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5549722 0.83 KDM4E (0.57) KDM4ELMNAALOX15CCR1CCR5
SCHEMBL13596181 0.80 KDM4E (0.63) KDM4ELMNAALOX15CCR1CCR5
SCHEMBL164554 0.79
SCHEMBL29700580 0.79
SCHEMBL24581100 0.79 KDM4E (0.67) KDM4ELMNAALOX15CCR1CCR5
SCHEMBL14614567 0.79 TRPV3 (0.57) KDM4ETDP1RAB9APDE10A
SCHEMBL18769070 0.78 KDM4E (0.65) KDM4ELMNAALOX15CCR1CCR5
Hydrochloric Acid SCHEMBL2654743 0.77 LMNA (0.66) LMNAALOX15TDP1L3MBTL1HTT
Bromide SCHEMBL9039579 0.77 HRH3 (0.62) LMNAALOX15TDP1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL5552722 0.77 LMNA (0.66) LMNAALOX15TDP1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 WO disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 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 (1 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-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 KDM4E 1544/4885LMNA 2126/4885ALOX15 3731/4885

“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.