SCHEMBL30950869

SCHEMBL30950869

CN(C)Cc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.40
IDO1 P14902 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
LSS P48449 1/20 0.38
NR2E1 Q9Y466 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GSR P00390 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL788092 1.00 TACR1 (0.40) TACR1IDO1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL787855 0.98 IDO1 (0.42) TACR1IDO1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5913029 0.98 IDO1 (0.42) TACR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL13451382 0.86 TACR1 (0.49) TACR1IDO1TSHRALDH1A1LMNA
SCHEMBL4065732 0.84 GPBAR1 (0.42) TACR1SLC6A2SLC6A4LSS
SCHEMBL3386068 0.83 CYP2C19 (0.47) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL545881 0.82 PRKCI (0.39) TACR1IDO1TSHRMAPK1ALDH1A1
SCHEMBL806193 0.82 NOS1 (0.49) TACR1IDO1TSHRMAPK1
Hydrochloric Acid SCHEMBL787716 0.81 NOS1 (0.50) TACR1IDO1
SCHEMBL5428175 0.80 TACR1 (0.52) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed
EP-4426688-B1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA LTD (GB) 2025-12-03 EP disclosed
EP-4313972-B1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-01-29 EP disclosed
US-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2024-10-10 US disclosed
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 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 (2 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-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 DDR1, DDR2, DDRGK1 TACR1 3978/4885IDO1 627/4885SLC6A2 4772/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 TACR1 3869/4885IDO1 328/4885SLC6A2 4135/4885

“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.