SCHEMBL900393

SCHEMBL900393

c1ccc2c(C3CCNCC3)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.50
NCF1 P14598 1/20 0.50
HTR2C P28335 6/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
PTK2B Q14289 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
ACVR1B P36896 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
HTR6 P50406 2/20 0.46
HTR1A P08908 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
MEN1 O00255 1/20 0.43

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
SCHEMBL30735573 1.00 ADRB2 (0.50) ADRB2NCF1HTR2CNPC1TP53
Hydrochloric Acid SCHEMBL23130919 0.98 HTR2C (0.50) ADRB2NCF1HTR2CNPC1TP53
Hydrochloric Acid SCHEMBL21061067 0.98 HTR2C (0.50) ADRB2NCF1HTR2CNPC1TP53
SCHEMBL21138089 0.94 ADRB2 (0.46) ADRB2NCF1HTR2CNPC1TP53
SCHEMBL19284555 0.89 HTR1A (0.51) HTR2CMAPTHTR1ASLC6A2SLC6A4
SCHEMBL29392938 0.88 MAPT (0.54) ADRB2NCF1NPC1TP53MAPT
SCHEMBL17075123 0.88 MAPT (0.54) ADRB2NCF1NPC1TP53MAPT
SCHEMBL27704008 0.85 ACVR1 (0.41) ADRB2NCF1HTR2CNPC1TP53
SCHEMBL17075086 0.84 MAPT (0.51) ADRB2NCF1NPC1TP53MAPT
SCHEMBL20935332 0.83 CAMKK1 (0.51) NCF1NPC1TP53MAPTRAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518842-A Alectinib preparation method 北京万全德众医药生物技术有限公司 2017-03-22 CN claimed
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 SRX CARDIO, LLC (US) 2024-02-06 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
CN-109311811-A Process for preparing 4- (piperidine-4-yl) morpholine 有机合成药品工业株式会社 2019-02-05 CN disclosed
CN-101291922-A Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-10-22 CN disclosed
CN-101242845-A Synergistic modulation of FLT3 kinase using a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1893214-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135629-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (7 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO ADRB2 2532/4885NCF1 1065/4885HTR2C 3941/4885
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ADRB2 2424/4885NCF1 1589/4885HTR2C 672/4885
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 PCSK9, PCSK6, PCSK7 ADRB2 3352/4885NCF1 1245/4885HTR2C 3255/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 ADRB2 2303/4885NCF1 1926/4885HTR2C 931/4885
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PCSK9, PCSK6, PCSK7 ADRB2 3639/4885NCF1 1209/4885HTR2C 3311/4885
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 ADRB2 3444/4885NCF1 1027/4885HTR2C 3540/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG ADRB2 4543/4885NCF1 1311/4885HTR2C 4500/4885

“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.