SCHEMBL785485

SCHEMBL785485

NC(=O)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 4/20 0.59
ATM Q13315 1/20 0.59
MPO P05164 5/20 0.57
SLC6A4 P31645 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.54
NOTUM Q6P988 1/20 0.54
HPGD P15428 1/20 0.51
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
KMT2A Q03164 2/20 0.49
CAPN1 P07384 1/20 0.49
CAPN2 P17655 1/20 0.49
HTR2A P28223 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
HTR1A P08908 1/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47

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
SCHEMBL29518350 0.89 KDM4E (0.75) KDM4EALDH1A1ATMMPOSLC6A4
SCHEMBL21366320 0.87 KDM4E (0.59) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
SCHEMBL784795 0.86 KDM4E (0.81) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
Hydrochloric Acid SCHEMBL8421126 0.84 KDM4E (0.79) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
SCHEMBL5912516 0.84 KDM4E (0.64) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
SCHEMBL24199362 0.83 KDM4E (0.62) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
SCHEMBL8421122 0.83 KDM4E (0.62) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
SCHEMBL1557600 0.81 KDM4E (0.65) KDM4EALDH1A1MPOSLC6A4SMN1; SMN2
SCHEMBL2546826 0.81 ALDH1A1 (0.61) KDM4EALDH1A1ATMSLC6A4TSHR
SCHEMBL3389562 0.81 ALDH1A1 (0.61) KDM4EALDH1A1ATMSLC6A4TSHR

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
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
CN-111566100-A Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2020-08-21 CN disclosed
WO-2019154177-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF 恩瑞生物医药科技(上海)有限公司 2019-08-15 WO disclosed
US-8841302-B2 HCV inhibitor and therapeutic agent combinations PTC THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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 (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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 KDM4E 1284/4885ALDH1A1 3246/4885ATM 2080/4885
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KDM4E 4208/4885ALDH1A1 1067/4885ATM 4415/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS KDM4E 886/4885ALDH1A1 2672/4885ATM 3658/4885
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CDK9, CDK19, CDK6 KDM4E 749/4885ALDH1A1 1509/4885ATM 456/4885

“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.