SCHEMBL4400918

SCHEMBL4400918

OC[C@@H](O)CN1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.55
RAD52 P43351 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BAX Q07812 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
IDO1 P14902 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1361161 1.00 MAPT (0.64) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL16908299 1.00 MAPT (0.64) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL15553304 0.98 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL14034485 0.98 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL10696876 0.98 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL21757993 0.98 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL9493787 0.92 MAPT (0.67) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL11438133 0.88 SMN1; SMN2 (0.60) MAPTATMSMN1; SMN2RAD52MEN1
SCHEMBL9059747 0.87 MAPT (0.54) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL151400 0.86 SMN1; SMN2 (0.58) MAPTATMSMN1; SMN2RAD52MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250000989-A1 PYRROLO BENZODIAZEPINE DERIVATIVE, AND CONJUGATE, PREPARATION METHOD AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-01-02 US disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
WO-2016112455-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2016-07-21 WO disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
WO-2015038868-A1 FUSED BICYCLIC 2,4-DIAMINOPYRIMIDINE DERIVATIVES CEPHALON, INC. (US) 2015-03-19 WO disclosed
US-8178539-B2 Substituted 3,4,6,7-tetrahydro-5H-1,2a,4a,8-tetraazacyclopenta[cd]phenalenes and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-8178539-B2 Substituted 3,4,6,7-tetrahydro-5H-1,2a,4a,8-tetraazacyclopenta[cd]phenalenes and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-20100173906-A1 Substituted 3,4,6,7-Tetrahydro-5H-1,2a,4a,8-Tetraazacyclopenta[cd]Phenalenes and Methods 3M INNOVATIVE PROPERTIES COMPANY 2010-07-08 US disclosed
US-20100173906-A1 Substituted 3,4,6,7-Tetrahydro-5H-1,2a,4a,8-Tetraazacyclopenta[cd]Phenalenes and Methods 3M INNOVATIVE PROPERTIES COMPANY 2010-07-08 US disclosed
WO-2008030511-A2 SUBSTITUTED 3,4,6,7-TETRAHYDRO-5H, 1,2A,4A,8-TETRAAZACYCLOPENTA[CD]PHENALENES COLEY PHARMACEUTICIAL GROUP, INC. (US) 2008-03-13 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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE MAPT 4482/4885ATM 698/4885SMN1; SMN2 4304/4885
US-20100173906-A1 Substituted 3,4,6,7-Tetrahydro-5H-1,2a,4a,8-Tetraazacyclopenta[cd]Phenalenes and Methods IL2, IL15, IL17A MAPT 2081/4885ATM 4432/4885SMN1; SMN2 3348/4885
US-20250000989-A1 PYRROLO BENZODIAZEPINE DERIVATIVE, AND CONJUGATE, PREPARATION METHOD AND USE THEREOF GABRA5, GABRA4, GABRA2 MAPT 836/4885ATM 2496/4885SMN1; SMN2 3778/4885

“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.