SCHEMBL6068632

SCHEMBL6068632

CN1CCN(c2ccc[c]n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.51
HTR3E A5X5Y0 4/20 0.51
HTR3B O95264 4/20 0.51
HTR3D Q70Z44 4/20 0.51
HTR3C Q8WXA8 4/20 0.51
HRH4 Q9H3N8 5/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
THPO P40225 1/20 0.45
KMT2A Q03164 1/20 0.41

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
SCHEMBL22348008 0.82 CYP1A2 (0.33) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1581515 0.82 CYP1A2 (0.37) KDM4EALDH1A1CYP1A2KMT2A
SCHEMBL2263521 0.81 CYP1A2 (0.40) KDM4EALDH1A1CYP1A2
SCHEMBL9900167 0.80 KMT2A (0.47) KDM4EALDH1A1KMT2A
SCHEMBL9900463 0.78 PLD1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL496543 0.78 HTT (0.44) KDM4EALDH1A1CYP1A2KMT2A
SCHEMBL27914157 0.76 KDM4E (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL27896672 0.76 MEN1 (0.49) KDM4EALDH1A1KMT2A
SCHEMBL18944366 0.74 HTR3A (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL934301 0.70 HRH4 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
WO-2020223469-A1 N-(1-(METHYLSULFONYL)PIPERIDIN-4-YL)-4,5-DI HYDRO-1H-IMIDAZO[4,5-H]QUINAZOLIN-8-AMINE DERIVATIVES AND RELATED COMPOUNDS AS CYCLIN-DEPENDENT KINASE 2 (CDK2) INHIBITORS FOR TREATING CANCER INCYTE CORPORATION (US) 2020-11-05 WO disclosed
US-20200347067-A1 TRICYCLIC AMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2020-11-05 US disclosed
WO-2017108744-A1 NOVEL SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-29 WO disclosed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2003-07-03 US disclosed
EP-1242423-A1 SUBSTITUTED 1,2,3-TRIAZOLO 1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2002-09-25 EP disclosed
WO-2001044250-A1 SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 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-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition HAX1, HTR1D, CHRM1 HTR3A 15/4885HTR3E 24/4885HTR3B 36/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 HTR3A 4501/4885HTR3E 4367/4885HTR3B 4395/4885
US-20200347067-A1 TRICYCLIC AMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK1, CCNI HTR3A 1493/4885HTR3E 1368/4885HTR3B 1151/4885

“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.