SCHEMBL21587664

SCHEMBL21587664

Cc1ccnn1CC(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.35
CBLB Q13191 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ELOVL1 Q9BW60 2/20 0.32
LMNA P02545 1/20 0.32
NAMPT P43490 2/20 0.32
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL30802774 0.82 MAPK1 (0.42) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL6154816 0.81 MAPK1 (0.47) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL22143796 0.80 MAPK1 (0.51) MAPK1ALDH1A1CYP1A2CYP2C19ELOVL1
SCHEMBL12512974 0.78 MAPK1 (0.44) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL12434717 0.78 MAPK1 (0.44) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL8141395 0.78 MAPK1 (0.44) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL18806993 0.78 MAPK1 (0.49) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL31030362 0.78 MAPK1 (0.49) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL26319271 0.76 MAPK1 (0.33) MAPK1ALDH1A1
SCHEMBL26319273 0.76 KCNH2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390340-A1 PYRROLIDINE KRAS INHIBITORS INCYTE CORP (US) 2024-11-28 US disclosed
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227696-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227698-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227695-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230543-A1 INDOLIZINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 WO disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO disclosed
WO-2019233456-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 WO disclosed
WO-2019233457-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 WO 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-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 MAPK1 1391/4885ALDH1A1 401/4885CBLB 2252/4885
US-20240390340-A1 PYRROLIDINE KRAS INHIBITORS KRAS, NRAS, HRAS MAPK1 343/4885ALDH1A1 1931/4885CBLB 1858/4885

“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.