SCHEMBL1099121

SCHEMBL1099121

Nc1cccc(NCCO)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NUDT1 P36639 1/20 0.45
MAPK1 P28482 1/20 0.44
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
GLA P06280 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
MAPT P10636 1/20 0.40
ADORA1 P30542 2/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL16790977 0.82 HRH3 (0.43) KDM4EALDH1A1XIAPBIRC2HRH4
Hydrochloric Acid SCHEMBL16766687 0.81 ALDH1A1 (0.44) KDM4EALDH1A1XIAPBIRC2HRH4
SCHEMBL22011153 0.81 HRH4 (0.40) KDM4EALDH1A1NUDT1XIAPBIRC2
SCHEMBL8396192 0.78 TLR8 (0.58) KDM4EALDH1A1MAPK1XIAPBIRC2
SCHEMBL1631857 0.77 KDM4E (0.46) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL22864667 0.77 MEN1 (0.49) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL1631859 0.77 NPSR1 (0.54) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1646497 0.77 ALDH1A1 (0.51) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL29651192 0.77 MEN1 (0.49) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL17840921 0.77 KDM4E (0.46) KDM4EALDH1A1POLBGAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898592-B1 HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS AMGEN INC (US) 2024-10-09 EP disclosed
US-20220002311-A1 KIF18A INHIBITORS AMGEN INC. (US) 2022-01-06 US disclosed
WO-2020132653-A1 HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS AMGEN INC. (US) 2020-06-25 WO disclosed
CN-101072758-B Quinazoline derivatives ASTRAZENECA AB 2013-07-31 CN disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101072758-A Quinazoline derivatives ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
CN-1541086-A Dyeing compson. for kerationous fibres comprising particular dicationic diazo dye �ź㴫 2004-10-27 CN 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 KDM4E 2801/4885ALDH1A1 2094/4885POLB 1660/4885
US-20220002311-A1 KIF18A INHIBITORS KIF18A, KIF18B, KIF15 KDM4E 1251/4885ALDH1A1 1534/4885POLB 453/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 KDM4E 2866/4885ALDH1A1 2331/4885POLB 1971/4885

“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.