SCHEMBL5746641

SCHEMBL5746641

C1=Cc2ccccc2C(Cc2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.42
PRCP P42785 1/20 0.42
HTR6 P50406 1/20 0.39
HTR2A P28223 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
ADRB2 P07550 1/20 0.35
GBA1 P04062 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
RET P07949 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29768309 1.00 SLC22A1 (0.42) SLC22A1PRCPHTR6HTR2AHDAC8
SCHEMBL29768307 0.78 RET (0.39) HTR6HTR2ASIGMAR1RETCYP3A4
SCHEMBL28774778 0.78 RET (0.39) HTR6HTR2ASIGMAR1RETCYP3A4
SCHEMBL9138411 0.76 EGFR (0.40) HTR2AGAARETCYP1A2
SCHEMBL9595697 0.74 ALDH1A1 (0.39) HTR2AGAARET
Hydrochloric Acid SCHEMBL7600781 0.72 HTR2A (0.34) HTR2ARET
SCHEMBL7759088 0.71 HTR2A (0.37) HTR2ARETCYP3A4
SCHEMBL30149414 0.69 HTR2A (0.32) HTR2ACYP1A2CYP2C19
SCHEMBL1027583 0.68 HTR6 (0.74) SLC22A1PRCPHTR6HTR2AHDAC8
SCHEMBL22345616 0.68 PRCP (0.43) PRCPHTR2ASIGMAR1GAACYP3A4

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
CN-114671807-A Preparation method of 1-substituted isoquinoline compound 联化科技(德州)有限公司 2022-06-28 CN disclosed
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 WO 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 SLC22A1 3507/4885PRCP 1589/4885HTR6 4080/4885

“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.