SCHEMBL2553484

SCHEMBL2553484

Cc1ccc(-c2cncnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
GRM5 P41594 1/20 0.52
KDR P35968 2/20 0.51
EPHB4 P54760 2/20 0.51
TEK Q02763 2/20 0.51
CYP19A1 P11511 1/20 0.48
ADK P55263 1/20 0.46
CYP2A6 P11509 1/20 0.46
XDH P47989 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39

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
SCHEMBL21345911 0.87 NPSR1 (0.53) ATMGRM5KDREPHB4TEK
SCHEMBL6682176 0.86 ATM (0.72) ATMKDREPHB4TEKCYP2A6
SCHEMBL12628230 0.81 GRM5 (0.45) ATMGRM5KDREPHB4TEK
SCHEMBL18325322 0.80 ATM (0.47) ATMGRM5KDREPHB4TEK
SCHEMBL18325225 0.78 ATM (0.46) ATMKDREPHB4TEKADK
SCHEMBL26794160 0.78 CYP1A2 (0.52) ATMCYP19A1ADKCYP2A6TDP1
SCHEMBL12628246 0.77 ADORA3 (0.45) GRM5KDREPHB4TEKCYP19A1
P-Xylene SCHEMBL28329964 0.76 ACHE (0.61) GRM5CYP19A1CYP2A6LMNAPKM
SCHEMBL18661495 0.76 ACHE (0.73) LMNAACHETDP1ENPP3ENPP1
SCHEMBL2814958 0.76 ATM (0.65) ATMGRM5CYP2A6XDH

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 173 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP claimed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US claimed
US-20240244947-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244946-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244947-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244946-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-11767341-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-09-26 US disclosed
US-20230217811-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-06 US disclosed
US-20230217811-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-06 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
CN-1524079-A Novel sulfonamides and their use as endothelin receptor antagonists ������˹ҩƷ��˾ 2004-08-25 CN disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 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 (7 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB ATM 1332/4885GRM5 2543/4885KDR 14/4885
US-11767341-B2 Lincosamide antibiotics and uses thereof LNPEP, LCLAT1, NPEPPS ATM 2766/4885GRM5 4115/4885KDR 4873/4885
US-20240244946-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS GPX1, PER2, SOD1 ATM 3431/4885GRM5 2429/4885KDR 3287/4885
US-20230217811-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 ATM 4007/4885GRM5 3256/4885KDR 3576/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ATM 4851/4885GRM5 3350/4885KDR 4278/4885
US-20240244947-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS PER2, GPX1, SOD1 ATM 3496/4885GRM5 2312/4885KDR 3357/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ATM 4853/4885GRM5 3271/4885KDR 4289/4885

“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.