SCHEMBL3313569

SCHEMBL3313569

COc1cc(CO)c(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
DPP4 P27487 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL17161176 0.87 DPP4 (0.40) NNMTPDE4APDE4BPDE4CPDE4D
SCHEMBL16800619 0.85 NNMT (0.39) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL14288612 0.83 CYP3A4 (0.40) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL3934065 0.83 NNMT (0.38) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL3938113 0.83 CYP3A4 (0.37) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL30240885 0.83 CYP3A4 (0.37) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL14288596 0.81 HMGCR (0.41) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL24853428 0.81 FFAR4 (0.44) NNMTFFAR4MTNR1AMTNR1BMAPT
SCHEMBL17310189 0.79 NNMT (0.38) NNMTPDE4APDE4BPDE4CPDE4D
SCHEMBL31573501 0.79 NNMT (0.38) NNMTPDE4APDE4BPDE4CPDE4D

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP claimed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US claimed
EP-4660184-A1 NAV1.7- AND/OR NAV1.8-INHIBITING HYDROXAMATES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 EP disclosed
US-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2025-03-27 US disclosed
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-11-12 US disclosed
WO-2024159287-A1 NAV1.7- AND/OR NAV1.8-INHIBITING HYDROXAMATES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2024-08-08 WO disclosed
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
CN-111698989-B Heterocyclic substituted pyridine derivatives as antifungal agents 安普利克斯制药公司 2023-08-01 CN disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents AMPLYX PHARMACEUTICALS, INC. (US) 2022-11-29 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2064180-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-06-03 EP disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009019518-A1 PYRIMIDINE COMPOUNDS HAVING A FGFR INHIBITORY EFFECT ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 NNMT 761/4885PDE4A 1239/4885PDE4B 1103/4885
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 NNMT 761/4885PDE4A 1239/4885PDE4B 1103/4885
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 NNMT 761/4885PDE4A 1239/4885PDE4B 1103/4885
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 NNMT 761/4885PDE4A 1239/4885PDE4B 1103/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L NNMT 936/4885PDE4A 1543/4885PDE4B 1190/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 NNMT 3309/4885PDE4A 784/4885PDE4B 523/4885

“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.