SCHEMBL12786178

SCHEMBL12786178

Clc1cc(Cl)cc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
GFER P55789 1/20 0.64
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
SMO Q99835 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
KDR P35968 1/20 0.40
CDK1 P06493 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
SCHEMBL12786175 0.88 MEN1 (0.60) KMT2AMEN1GFERALDH1A1ABCG2
SCHEMBL12786172 0.85 KMT2A (0.70) KMT2AMEN1GFERHPGDALDH1A1
SCHEMBL12786177 0.80 MEN1 (0.57) KMT2AMEN1GFERHPGDALDH1A1
SCHEMBL1396118 0.79 KMT2A (0.70) KMT2AMEN1GFERHPGDALDH1A1
SCHEMBL2210096 0.78 MEN1 (1.00) KMT2AMEN1GFERHPGDALDH1A1
SCHEMBL12786176 0.77 MEN1 (0.55) KMT2AMEN1GFERALDH1A1TSHR
SCHEMBL27829670 0.77 KMT2A (0.72) KMT2AMEN1GFERHPGDALDH1A1
SCHEMBL7487101 0.76 MEN1 (0.70) KMT2AMEN1GFERHPGDALDH1A1
SCHEMBL23064355 0.75 HTR2A (0.48) DRD2DRD4
SCHEMBL13181182 0.73 KMT2A (0.66) KMT2AMEN1GFERHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771175-B1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-23 EP disclosed
US-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-12 US disclosed
US-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-12 US disclosed
US-8946221-B2 Phthalazine derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-02-03 US disclosed
US-8946221-B2 Phthalazine derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-02-03 US disclosed
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS MEVELLEC LAURENCE ANNE 2011-03-17 US disclosed
US-7803795-B2 Phthalazine derivatives as parp inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-28 US disclosed
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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 (3 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-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 KMT2A 129/4885MEN1 1665/4885GFER 3961/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 KMT2A 131/4885MEN1 1695/4885GFER 3959/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 KMT2A 129/4885MEN1 1665/4885GFER 3961/4885

“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.