SCHEMBL30939734

SCHEMBL30939734

O=[N+]([O-])c1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.59
MAPK1 P28482 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CASP7 P55210 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.47
EPAS1 Q99814 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL21846996 1.00 PIN1 (0.59) PIN1MAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL12813490 0.86 PIN1 (0.56) PIN1MAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL25056431 0.86 PIN1 (0.56) PIN1MAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL22807432 0.79 PIN1 (0.51) PIN1MAPK1ALDH1A1TDP1KMT2A
SCHEMBL22807430 0.79 PIN1 (0.51) PIN1MAPK1ALDH1A1TDP1KMT2A
SCHEMBL29549204 0.79 PIN1 (0.51) PIN1MAPK1ALDH1A1TDP1KMT2A
SCHEMBL29549327 0.79 PIN1 (0.51) PIN1MAPK1ALDH1A1TDP1KMT2A
SCHEMBL2062564 0.79 IGF1R (0.54) ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL28969585 0.78 CDK2 (0.43) PIN1KMT2A
SCHEMBL30366652 0.77 PIN1 (0.58) PIN1MAPK1TDP1ABCG2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 US disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 CN 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 (1 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-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD PIN1 3069/4885MAPK1 991/4885L3MBTL1 4792/4885

“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.