SCHEMBL22630752

SCHEMBL22630752

CC(N)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
PDE2A O00408 4/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS1 P23219 1/20 0.36
HPGD P15428 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NOS1 P29475 1/20 0.36
ALDH1A1 P00352 2/20 0.36
APAF1 O14727 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9987929 1.00 KMT2A (0.44) KMT2APDE2APOLBSMN1; SMN2TSHR
SCHEMBL3074268 1.00 KMT2A (0.44) KMT2APDE2APOLBSMN1; SMN2TSHR
SCHEMBL23122207 1.00 KMT2A (0.44) KMT2APDE2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27204271 0.98 KMT2A (0.43) KMT2APDE2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL29106444 0.98 KMT2A (0.43) KMT2APDE2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27160078 0.98 KMT2A (0.43) KMT2APDE2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL30615195 0.98 KMT2A (0.43) KMT2APDE2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL30049359 0.98 KMT2A (0.43) KMT2APDE2APOLBSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL29106441 0.98 KMT2A (0.43) KMT2APDE2APOLBSMN1; SMN2TSHR
SCHEMBL22158761 0.86 KIF11 (0.44) KDM4EHPGDALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330231-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DRIVATIVES FOR THE TREATMENT OF INFLAMMATION Sitryx Therapeutics Limited (GB) 2024-03-06 EP disclosed
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 US disclosed
EP-4031552-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
US-11384079-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2022-07-12 US disclosed
CN-114728975-A Azole-fused pyridazin-3 (2H) -one derivatives 武田药品工业株式会社 2022-07-08 CN disclosed
WO-2021055326-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 WO disclosed
US-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2020-11-05 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 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-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 KMT2A 4819/4885PDE2A 1158/4885POLB 4582/4885
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES GPR139, GPR119, GPR39 KMT2A 4524/4885PDE2A 414/4885POLB 4591/4885
US-11384079-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 KMT2A 4819/4885PDE2A 1158/4885POLB 4582/4885

“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.