SCHEMBL2443328

SCHEMBL2443328

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCN(C)C)cc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.81
▸ AXL P30530 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CDK2 P24941 4/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ HIPK4 Q8NE63 1/20 0.36
▸ CACNA1H O95180 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ MCHR2 Q969V1 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ KDM5B Q9UGL1 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
SCHEMBL31371552 1.00 MAPK14 (0.81) MAPK14AXLALDH1A1SMN1; SMN2CDK2
SCHEMBL2445182 0.95 MAPK14 (0.73) MAPK14AXLALDH1A1HTR2AHTR2C
SCHEMBL31371595 0.92 MAPK14 (0.72) MAPK14AXLALDH1A1HTR2AHTR2C
Arry-797 SCHEMBL29349798 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
Arry-797 SCHEMBL222635 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
Arry-797 SCHEMBL29351662 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
Arry-797 SCHEMBL31046796 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
SCHEMBL31371520 0.89 MAPK14 (0.70) MAPK14ALDH1A1HTR2CRAD52MCHR2
SCHEMBL2446702 0.87 MAPK14 (0.62) MAPK14AXLALDH1A1SMN1; SMN2CDK2
SCHEMBL2443317 0.87 MAPK14 (0.63) MAPK14ALDH1A1SMN1; SMN2MCHR2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 — — US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 — — US disclosed
US-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 — — 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-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 MAPK14 523/4885AXL 296/4885ALDH1A1 1054/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 MAPK14 523/4885AXL 296/4885ALDH1A1 1054/4885

“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.

Send feedback