SCHEMBL10500232

SCHEMBL10500232

c1ccc2c(c1)cnn2N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KMO O15229 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
POLB P06746 3/20 0.35
P2RX7 Q99572 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HSD17B10 Q99714 4/20 0.34
TSHR P16473 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL29521056 1.00 RECQL (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL9833133 0.98 RECQL (0.40) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL5215315 0.96 RECQL (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL29520805 0.84 LRRK2 (0.47) RECQLPOLBLRRK2TSHRNPSR1
SCHEMBL29520731 0.84 RECQL (0.38) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL29521086 0.84 HTR2C (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL8470553 0.84 HTR2C (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL10583863 0.82 ADRA2A (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL31190755 0.77 RECQL (0.38) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL4788217 0.76 ADRA2A (0.38) RECQLCYP1A2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO disclosed
EP-0135781-B1 3-(PIPERIDINYL)- AND 3-(PYRROLIDINYL)-1H-INDAZOLES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS A MEDICAMENT HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-10-11 EP disclosed
EP-0135781-A1 3-(Piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles, a process for their preparation and their use as a medicament HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-04-03 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 (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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 RECQL 2031/4885CYP1A2 1188/4885ADRA2A 4776/4885

“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.