SCHEMBL26628895

SCHEMBL26628895

CC(C)(C)C1C(Nc2ncc(C(F)(F)F)c(Cl)n2)CCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 5/20 0.40
HCRTR1 O43613 11/20 0.38
HCRTR2 O43614 4/20 0.38
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
ULK1 O75385 1/20 0.37
FLT3 P36888 2/20 0.36
CHEK1 O14757 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
SCHEMBL31164172 0.76 MAPK3 (0.40) MAPK3HCRTR2JAK3ULK1
SCHEMBL27213279 0.76 MAPK3 (0.40) MAPK3HCRTR2JAK3ULK1
SCHEMBL2128328 0.76 KMT2A (0.46) HCRTR1HCRTR2
SCHEMBL21178194 0.75 MAPK3 (0.55) MAPK3ULK1
SCHEMBL29042588 0.75 MAPK3 (0.55) MAPK3ULK1
SCHEMBL22977459 0.74 MAPK3 (0.40) MAPK3ULK1
SCHEMBL27213302 0.74 MAPK3 (0.40) MAPK3ULK1
SCHEMBL30449867 0.74 ALK (0.41) MAPK3LCKJAK3ULK1
SCHEMBL376771 0.73 JAK3 (0.48) HCRTR1HCRTR2JAK3
SCHEMBL17536544 0.71 ALDH1A1 (0.38) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-04-30 US disclosed
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof RECURSION PHARMACEUTICALS, INC. (US) 2026-02-03 US disclosed
US-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-25 US disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 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 (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-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK17, CDK8 MAPK3 479/4885HCRTR1 4036/4885HCRTR2 3630/4885
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof CDK7, CDK17, CDK1 MAPK3 522/4885HCRTR1 4577/4885HCRTR2 3862/4885
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK8, CDK6 MAPK3 640/4885HCRTR1 2485/4885HCRTR2 1473/4885

“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.