SCHEMBL568548

SCHEMBL568548

Nc1cncc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
DAO P14920 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
LMNA P02545 1/20 0.39
DDO Q99489 1/20 0.39
KIF11 P52732 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
HDAC4 P56524 1/20 0.36
NR2E1 Q9Y466 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL31612247 1.00 TSHR (0.46) TSHRMAPK1DAOALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17559541 0.98 TSHR (0.45) TSHRMAPK1DAOALDH1A1KDM4E
Acetic Acid SCHEMBL28177239 0.87 ALDH1A1 (0.47) TSHRMAPK1DAOALDH1A1KDM4E
SCHEMBL27976418 0.85 TSHR (0.36) TSHRMAPK1DAOALDH1A1KDM4E
SCHEMBL20594952 0.84 KDM4E (0.38) TSHRMAPK1ALDH1A1KDM4EMEN1
SCHEMBL20554634 0.82 TLR8 (0.40) TSHRMAPK1DAOALDH1A1SMN1; SMN2
Propionic Acid SCHEMBL28311891 0.82 AGBL2 (0.45) DAOALDH1A1KDM4EMEN1KMT2A
SCHEMBL24534066 0.82 KDM4E (0.36) TSHRMAPK1ALDH1A1KDM4EMEN1
SCHEMBL16895182 0.82 KDM4E (0.36) TSHRMAPK1ALDH1A1KDM4EMEN1
SCHEMBL3749196 0.82 CYP11B1 (0.43) DAOALDH1A1KIF11CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US claimed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP claimed
US-12617801-B2 Tetrahydrothieno pyridine derivatives as DDRS inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-05-05 US disclosed
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
EP-4713323-A1 3-CARBONYL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES FOR USE AS CD38 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Cerevance, Inc. (US) 2026-03-25 EP disclosed
US-20260069571-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2026-03-12 US disclosed
US-20260028328-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2026-01-29 US disclosed
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INST NAT SANTE RECH MED (FR) 2025-12-18 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US disclosed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US disclosed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP disclosed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP 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-12617801-B2 Tetrahydrothieno pyridine derivatives as DDRS inhibitors DDR1, DDR2, DDRGK1 TSHR 163/4885MAPK1 458/4885DAO 2241/4885
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS BBOX1, NDUFB6, NDUFB5 TSHR 2969/4885MAPK1 774/4885DAO 923/4885
US-20260069571-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES DDR1, DDR2, TGFBR2 TSHR 302/4885MAPK1 657/4885DAO 2569/4885
US-20260028328-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS DDR1, DDR2, DDRGK1 TSHR 118/4885MAPK1 1764/4885DAO 2663/4885

“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.