SCHEMBL14737362

SCHEMBL14737362

Cc1ccc2c(I)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.50
KIF11 P52732 2/20 0.41
MAP2K4 P45985 5/20 0.41
MAPK1 P28482 3/20 0.41
MAPKAPK3 Q16644 3/20 0.41
MAPK6 Q16659 3/20 0.41
MAPKAPK2 P49137 2/20 0.41
MAPKAPK5 Q8IW41 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
CHEK1 O14757 1/20 0.38
MAP2K7 O14733 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30697882 1.00 ITK (0.50) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL13115653 0.85 ABL1 (0.48) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL30310978 0.85 ITK (0.45) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL14493350 0.84 MAP2K4 (0.53) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL29937023 0.83 ITK (0.40) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL31552439 0.79 ITK (0.53) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL2826429 0.79 NOS1 (0.39) ITKMAP2K4
SCHEMBL12247 0.79 ITK (0.53) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL497271 0.78 PDPK1 (0.60) ITK
SCHEMBL1330584 0.76 PDPK1 (0.63) CHEK1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015351-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES AXONIS THERAPEUTICS INC (US) 2026-01-15 US disclosed
WO-2025051241-A1 MACROCYCLIC COMPOUND AND ANTIBODY-DRUG CONJUGATE THEREOF 劲方医药科技(上海)股份有限公司 2025-03-13 WO disclosed
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
WO-2024006379-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES AXONIS THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed
US-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2023-11-30 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2014100463-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-06-26 WO disclosed
US-20140171432-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-06-19 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (6 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-20230382893-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY ZC3HAV1, ZC3HAV1L, IFNAR1 ITK 2554/4885KIF11 4103/4885MAP2K4 3860/4885
US-20260015351-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES PRKCSH, MAPK7, PRKCB ITK 4047/4885KIF11 1488/4885MAP2K4 227/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ITK 4359/4885KIF11 3110/4885MAP2K4 3056/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT ITK 4532/4885KIF11 4561/4885MAP2K4 2855/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 ITK 207/4885KIF11 4243/4885MAP2K4 772/4885
US-20140171432-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM5C ITK 4220/4885KIF11 4326/4885MAP2K4 3703/4885

“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.