SCHEMBL4472136

SCHEMBL4472136

Clc1[c]cc2cccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.53
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 6/20 0.48
CASP1 P29466 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1161074 0.77 ALDH1A1 (0.48) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL1100332 0.77 ALDH1A1 (0.58) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL1100423 0.73 ALDH1A1 (0.49) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL359502 0.73 PDGFRB (0.54) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL29350099 0.71 NPC1 (0.65) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL150476 0.71 NPC1 (0.65) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL1750620 0.71 CASP6 (0.71) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL456918 0.70 CYP2A6 (0.42) ALDH1A1CASP1CASP7CYP1A2TP53
SCHEMBL29393522 0.69 NR4A2 (1.00) NR4A2CASP6ALDH1A1CASP1HTT
SCHEMBL317870 0.69 NR4A2 (1.00) NR4A2CASP6ALDH1A1CASP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
EP-0402751-B1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF AG (DE) 1994-05-04 EP disclosed
EP-0402751-A1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF Aktiengesellschaft (DE) 1990-12-19 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 NR4A2 189/4885CASP6 4267/4885ALDH1A1 1181/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG NR4A2 62/4885CASP6 2480/4885ALDH1A1 2467/4885

“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.