SCHEMBL3621787

SCHEMBL3621787

c1ccc(Cn2nc(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HSD17B10 Q99714 3/20 0.62
F2RL3 Q96RI0 1/20 0.62
PDE5A O76074 4/20 0.61
CYP1A2 P05177 5/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2D6 P10635 4/20 0.58
KDM4E B2RXH2 4/20 0.58
LMNA P02545 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL17199366 0.89 F2RL3 (0.56) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL4028940 0.89 ESR1 (0.69) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL13618343 0.89 F2RL3 (0.66) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL28982383 0.89 ALDH1A1 (0.71) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL3082745 0.88 F2RL3 (0.61) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL17322904 0.86 HSD17B10 (0.55) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL17028033 0.85 PTGER4 (0.54) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL5563968 0.85 PDE5A (0.58) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL30495303 0.85 PTGER4 (0.54) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2
SCHEMBL4485942 0.85 RORC (0.76) ALDH1A1HSD17B10F2RL3PDE5ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
CN-101827849-B Novel compounds of reverse turn mimetics and uses thereof CHOONGWAE PHARMA CORP 2013-07-24 CN claimed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
CN-101827849-B Novel compounds of reverse turn mimetics and uses thereof CHOONGWAE PHARMA CORP 2013-07-24 CN disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN disclosed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed
US-6387942-B2 PYRAZOLYL COMPOUND; ANTICOAGULANTS, ANTIPROLIFERATIVE AGENT YUNG SHIN PHARMACEUTICAL IND. CO. LTD (TW) 2002-05-14 US disclosed
CN-1331076-A Fused pyrazolyl compounds, compositions containing the same, and uses of the compounds YONGXIN MEDICINE INDUSTRY CO L (CN) 2002-01-16 CN disclosed
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2002-01-10 US disclosed
EP-1166785-A1 Use of pyrazole derivatives for inhibiting thrombin-induced platelet aggregation Yung Shin Pharmeutical Ind. Co., Ltd. (TW) 2002-01-02 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 (2 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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC ALDH1A1 753/4885HSD17B10 1885/4885F2RL3 2805/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 ALDH1A1 2860/4885HSD17B10 1423/4885F2RL3 5/4885

“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.