SCHEMBL7105255

SCHEMBL7105255

CCCNc1nc(Cl)nc(NC(C)C)n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
TDP1 Q9NUW8 1/20 0.68
KMT2A Q03164 3/20 0.60
NR1I2 O75469 1/20 0.54
AHR P35869 1/20 0.54
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.49
RAD52 P43351 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL2490426 0.87 KMT2A (0.75) GAATDP1KMT2ANR1I2AHR
Propazine SCHEMBL29366712 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Atrazine SCHEMBL9117361 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Propazine SCHEMBL9379274 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Propazine SCHEMBL9092745 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Atrazine SCHEMBL29353679 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Atrazine SCHEMBL1516439 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Atrazine SCHEMBL4306269 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Atrazine SCHEMBL20723465 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1
Atrazine SCHEMBL36936 0.85 GAA (0.73) GAATDP1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363115-A2 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2021-11-25 US disclosed
US-20210163426-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2021-06-03 US disclosed
EP-0751170-B1 Silicone derivatives, their production and use CHIBA FLOUR MILLING (JP) 2003-01-22 EP disclosed
US-5859243-A AMINOSILICONES HAVING PYRIMIDINYL GROUPS BOUND TO THE AMINO GROUPS; USED TO GEL SILICONE OIL OR TO INCREASE THE VISCOSITY STABLY AND HOMOGENEOUSLY; BASES FOR COSMETICS, DRUGS, INDUSTRIAL MATERIAL; FEEL; TEXTURE CHIBA FLOUR MILLING CO., LTD. (JP) 1999-01-12 US disclosed
US-5712391-A POLYSILOXANES MODIFIED WITH TRIAZINE GROUPS AND DIAMINE COMPOUNDS FOR COSMETICS CHIBA FLOUR MILLING CO., LTD. (JP) 1998-01-27 US disclosed
EP-0751170-A2 Silicone derivatives, their production and use Chiba Flour Milling Co., Ltd. (JP) 1997-01-02 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 (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-20210363115-A2 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE CYP4F11, CYP11B1, CYP11B2 GAA 3732/4885TDP1 1554/4885KMT2A 4235/4885
US-20210163426-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE CYP4F11, CYP11B1, CYP11B2 GAA 3938/4885TDP1 1463/4885KMT2A 4271/4885

“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.