SCHEMBL9014698

SCHEMBL9014698

COc1cc(C)nc(N2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.49
HTR2C P28335 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
UBE2N P61088 2/20 0.48
APAF1 O14727 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
ROCK2 O75116 2/20 0.46
HRH1 P35367 1/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46

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
SCHEMBL5988646 0.90 HTR2C (0.54) ALDH1A1HPGDKMT2AHTR2CKDM4E
SCHEMBL18005321 0.85 TSHR (0.55) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL1515373 0.84 CASP1 (0.58) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL15080590 0.83 TSHR (0.57) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL18063512 0.83 CASP1 (0.44) ALDH1A1HPGDTSHRHSD17B10KMT2A
Hydrochloric Acid SCHEMBL8582022 0.83 CASP1 (0.56) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL23560783 0.81 ADRB1 (0.56) ALDH1A1HPGDKDM4EHTR3EHTR3B
SCHEMBL5988501 0.80 HTR2C (0.46) ALDH1A1HPGDKMT2AHTR2CKDM4E
SCHEMBL18153364 0.80 LMNA (0.58) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL21744917 0.79 PLK4 (0.44) ALDH1A1TSHRHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027607-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-26 EP disclosed
US-9598401-B2 Substituted heteroaryl compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-21 US disclosed
EP-3027607-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2016-06-08 EP disclosed
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-24 US disclosed
WO-2015014256-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-02-05 WO disclosed
US-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 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-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HTR3B, HTR3A, HTR2C ALDH1A1 1476/4885HPGD 1694/4885TSHR 366/4885

“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.