SCHEMBL20533359

SCHEMBL20533359

N#C/C(=N\Nc1ccc(Br)cc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MAPT P10636 7/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.37
MEN1 O00255 5/20 0.37
LMNA P02545 2/20 0.37
EPHX1 P07099 1/20 0.37
HTT P42858 3/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL20533360 1.00 KMT2A (0.43) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL25171844 1.00 KMT2A (0.43) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL922178 0.73 MAPT (0.57) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL15720603 0.70 MAPT (0.46) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL15720604 0.70 MAPT (0.46) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL29629563 0.67 MAPT (0.43) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL9422003 0.65 CYP1B1 (0.50) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL9422004 0.65 CYP1B1 (0.50) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL4770419 0.64 SRD5A2 (0.59) RAB9APOLBHPGDATM
SCHEMBL20852084 0.64 MAPT (0.57) KMT2AMAPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
EP-3350184-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER LOXO ONCOLOGY INC (US) 2022-10-19 EP disclosed
US-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY INC. (US) 2020-04-07 US disclosed
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 US disclosed
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 US disclosed
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC. (GB) 2018-12-20 US disclosed
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2018-12-20 US disclosed
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2018-10-18 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 (6 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-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK KMT2A 927/4885MAPT 4405/4885RAB9A 3456/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK KMT2A 927/4885MAPT 4405/4885RAB9A 3456/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK KMT2A 927/4885MAPT 4405/4885RAB9A 3456/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK KMT2A 927/4885MAPT 4405/4885RAB9A 3456/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK KMT2A 927/4885MAPT 4405/4885RAB9A 3456/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK KMT2A 927/4885MAPT 4405/4885RAB9A 3456/4885

“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.