SCHEMBL6835503

SCHEMBL6835503

O=C(c1ccncc1)c1ccc(F)nc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30554309 1.00 LTA4H (0.52) LTA4HKMT2AMEN1LMNANAPRT
SCHEMBL1513017 0.84 AKR1C3 (0.47) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL23458451 0.75 NAPRT (0.59) LTA4HKMT2AMEN1LMNANAPRT
SCHEMBL29551348 0.72 NAPRT (0.50) NAPRTALDH1A1KDM4ECYP1A2TSHR
SCHEMBL445478 0.72 NAPRT (0.50) NAPRTALDH1A1KDM4ECYP1A2TSHR
SCHEMBL8801902 0.71 LTA4H (0.61) LTA4HKMT2AMEN1LMNANAPRT
SCHEMBL447058 0.71 ALDH1A1 (0.43) NAPRTALDH1A1RAB9A
SCHEMBL30934037 0.71 ALDH1A1 (0.43) NAPRTALDH1A1RAB9A
SCHEMBL30506330 0.71 SMN1; SMN2 (0.40) KMT2AMEN1NAPRTL3MBTL1ALDH1A1
SCHEMBL30641935 0.71 DGAT1 (0.42) KMT2AMEN1ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020200161-A1 SALT OF INDAZOLYL-CONTAINING TRICYCLIC DERIVATIVE AND CRYSTAL FORM THEREOF 上海翰森生物医药科技有限公司 2020-10-08 WO disclosed
WO-2020200161-A1 SALT OF INDAZOLYL-CONTAINING TRICYCLIC DERIVATIVE AND CRYSTAL FORM THEREOF 上海翰森生物医药科技有限公司 2020-10-08 WO disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 WO disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LTA4H 3908/4885KMT2A 1640/4885MEN1 1169/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LTA4H 3908/4885KMT2A 1640/4885MEN1 1169/4885
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 LTA4H 717/4885KMT2A 3774/4885MEN1 904/4885

“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.