SCHEMBL2816638

SCHEMBL2816638

c1ccc(CN2CCN(CCNc3nc4c5c(n3)N(Cc3ccccc3)CCC5NN4)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KDM1A O60341 3/20 0.38
EHMT2 Q96KQ7 3/20 0.38
RCOR1 Q9UKL0 3/20 0.38
BCDIN3D Q7Z5W3 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR7 P34969 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
SCHEMBL2812174 0.92 LMNA (0.51) LMNAKDM1AEHMT2RCOR1MEN1
SCHEMBL537948 0.89 KDM1A (0.46) KDM1AEHMT2RCOR1SIGMAR1
SCHEMBL2811945 0.87 ACHE (0.38) LMNAACHEMEN1KMT2A
SCHEMBL2814505 0.86 KDM1A (0.46) LMNAKDM1AEHMT2RCOR1SIGMAR1
SCHEMBL537894 0.85 ALDH1A1 (0.38) LMNAKDM1AEHMT2RCOR1
SCHEMBL2808425 0.84 MRGPRX1 (0.39) SIGMAR1HTR7
SCHEMBL2812009 0.84 ALDH1A1 (0.38) MAOBSIGMAR1MEN1KMT2AHTR7
SCHEMBL2810531 0.84 MRGPRX1 (0.48) MEN1KMT2A
SCHEMBL2814891 0.83 HRH2 (0.41) BCDIN3DSIGMAR1
SCHEMBL2812003 0.83 KDM1A (0.47) KDM1AEHMT2RCOR1

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 (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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 LMNA 2815/4885KDM1A 3360/4885EHMT2 3441/4885

“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.