SCHEMBL2378486

SCHEMBL2378486

CNc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
HTR2A P28223 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
DRD3 P35462 1/20 0.52
HTR6 P50406 1/20 0.52
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR3A P46098 1/20 0.50
AGXT P21549 1/20 0.50
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 2/20 0.47
CCNT1 O60563 3/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CDK9 P50750 3/20 0.46

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
SCHEMBL18801748 0.85 PRMT6 (0.56) ADRA2CAGXTMAPTCCNT1CCNA2
SCHEMBL113800 0.84 PRMT6 (0.58) AGXTMAPTCCNT1CCNA2CDK2
SCHEMBL2376465 0.81 CHRNA7 (0.59) MAPTKDM4EGAA
SCHEMBL18946090 0.81 FAAH (0.46) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL3433102 0.81 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL25156906 0.81 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL13996557 0.81 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL13994004 0.81 ADRA2C (0.56) ADRA2CHTR2AHTR1AHTR2CHTR7
SCHEMBL3230491 0.81 DRD2 (0.51) HTR1AHTR7MAPTJAK2JAK3
SCHEMBL6264215 0.81 ADRB1 (0.62) HTR2AHTR1AHTR2CHTR7DRD3

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
WO-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed
EP-3048106-B1 THIENOPYRIMIDINE AS INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2019-11-06 EP disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
CN-104822267-A INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE BARUCH S BLUMBERG INST 2015-08-05 CN disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 ADRA2C 4452/4885HTR2A 3778/4885HTR1A 2914/4885

“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.