SCHEMBL8137397

SCHEMBL8137397

NNc1cc(C(F)(F)F)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.63
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 4/20 0.51
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MCHR1 Q99705 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACP1 P24666 2/20 0.40
KMT2A Q03164 2/20 0.40
C1R P00736 1/20 0.39
MEN1 O00255 1/20 0.39
SLC2A1 P11166 1/20 0.39
CCNE2 O96020 1/20 0.39

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
SCHEMBL29230225 0.79 BACE1 (0.57) BACE1MAPTALDH1A1RAB9AKDM4E
SCHEMBL4116547 0.77 BACE1 (1.00) BACE1MAPTALDH1A1GAARAB9A
SCHEMBL3300391 0.75 BACE1 (0.66) BACE1MAPTALDH1A1GAARAB9A
SCHEMBL30632275 0.74 BACE1 (0.55) BACE1MAPTALDH1A1GAAKDM4E
SCHEMBL895250 0.74 BACE1 (0.64) BACE1MAPTALDH1A1GAAKDM4E
SCHEMBL2335294 0.74 BACE1 (0.64) BACE1MAPTALDH1A1GAARAB9A
SCHEMBL30901286 0.74 BACE1 (0.64) BACE1MAPTALDH1A1GAARAB9A
SCHEMBL3375200 0.74 BACE1 (0.64) BACE1MAPTALDH1A1GAARAB9A
SCHEMBL19117639 0.74 BACE1 (0.64) BACE1MAPTALDH1A1KDM4ECYP1A2
SCHEMBL1577669 0.74 ALDH1A1 (0.63) BACE1MAPTALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
WO-2021194954-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY STEMLINE THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 EP disclosed
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 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 (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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 BACE1 4228/4885MAPT 4288/4885ALDH1A1 788/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 BACE1 4228/4885MAPT 4288/4885ALDH1A1 788/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 BACE1 4359/4885MAPT 4319/4885ALDH1A1 1388/4885

“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.