SCHEMBL20150481

SCHEMBL20150481

Nc1ncc(-c2cccc(F)c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.68
TAAR1 Q96RJ0 3/20 0.59
DHFR P00374 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR2 Q92731 1/20 0.48
CHEK2 O96017 1/20 0.48
ADORA2A P29274 1/20 0.47
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
FYN P06241 1/20 0.47
HPGDS O60760 1/20 0.46
IDO1 P14902 2/20 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
SCHEMBL2643156 0.81 MAP4K4 (1.00) MAP4K4MEN1
SCHEMBL380344 0.80 MAP4K4 (0.47) MAP4K4KDM4EMAPTADORA2AALOX5AP
SCHEMBL1477226 0.80 MAP4K4 (0.70) MAP4K4TAAR1KDM4EMEN1MAPT
SCHEMBL28259703 0.80 KDM4E (0.50) MAP4K4TAAR1DHFRKDM4EMEN1
SCHEMBL20538689 0.80 ALOX5AP (0.62) MAP4K4ALOX5APFEN1
SCHEMBL11477525 0.79 ESR2 (0.59) MAP4K4TAAR1ESR2CHEK2FYN
SCHEMBL13563179 0.79 KCNQ3 (0.49) MAP4K4TAAR1ESR2HPGDSIDO1
SCHEMBL198702 0.79 TAAR1 (0.68) MAP4K4TAAR1KDM4EMEN1MAPT
SCHEMBL1388331 0.78 DHFR (0.67) MAP4K4DHFRKDM4EMEN1MAPT
SCHEMBL5739331 0.78 KMO (0.50) MAP4K4TAAR1DHFRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-03-16 US disclosed
US-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof ZHEJIANG UNIVERSITY (CN) 2023-02-28 US disclosed
US-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof ZHEJIANG UNIVERSITY (CN) 2023-02-28 US disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
EP-3530657-B1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE UNIV ZHEJIANG (CN) 2022-04-13 EP disclosed
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2021-09-16 US disclosed
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2021-09-16 US disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 EP disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 EP disclosed
CN-106588884-B Polysubstituted aromatic ring-the pyridine derivatives of 2- and preparation and medical usage 浙江大学 2019-04-09 CN disclosed
WO-2018086546-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE 浙江大学 2018-05-17 WO disclosed
CN-106588884-A 2-polysubstituted aromatic ring-pyrimidine derivative and preparation and medical application 浙江大学 2017-04-26 CN 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 (4 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-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 MAP4K4 181/4885TAAR1 4553/4885DHFR 1119/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 MAP4K4 181/4885TAAR1 4553/4885DHFR 1119/4885
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ANO1, ANO2, CACYBP MAP4K4 2823/4885TAAR1 4436/4885DHFR 3988/4885
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 MAP4K4 181/4885TAAR1 4553/4885DHFR 1119/4885

“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.