SCHEMBL423581

SCHEMBL423581

N=C(N)c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 1.00
PARP1 P09874 1/20 0.63
PRSS1 P07477 8/20 0.57
PRSS2 P07478 6/20 0.57
PRSS3 P35030 6/20 0.57
F2 P00734 2/20 0.57
PLG P00747 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.53
F10 P00742 1/20 0.52
F12 P00748 1/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
PKM P14618 1/20 0.52
NOS1 P29475 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Hydrochloric Acid SCHEMBL3764471 0.98 C1S (0.96) C1SPARP1PRSS1PRSS2PRSS3
SCHEMBL28569668 0.88 C1S (0.78) C1SPARP1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL28572020 0.86 C1S (0.75) C1SPARP1PRSS1PRSS2PRSS3
SCHEMBL15547311 0.83 PRSS1 (0.70) C1SPRSS1PRSS2PRSS3F2
SCHEMBL27645846 0.80 C1S (0.65) C1SPARP1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL28253026 0.80 PRSS1 (0.74) C1SPRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL28555629 0.80 PRSS1 (0.74) C1SPRSS1PRSS2PRSS3F2
SCHEMBL24934194 0.77 C1S (0.63) C1SPARP1SMN1; SMN2KMT2A
SCHEMBL163949 0.77 PARP1 (1.00) C1SPARP1BLMSMN1; SMN2RECQL
SCHEMBL11346008 0.77 C1S (0.63) C1SPARP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384766-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-08-12 US disclosed
US-20250171422-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2025-05-29 US disclosed
US-20250057042-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2025-02-13 US disclosed
US-12150380-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-11-19 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20070190355-A1 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD (JP) 2007-08-16 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
CN-1918132-A Method of coloring with capped diazotized compound and coupling component CIBA SC HOLDING AG (CH) 2007-02-21 CN disclosed
CN-1678285-A Dyeing method for porous material CIBA SC HOLDING AG (CH) 2005-10-05 CN disclosed
CN-1615343-A Yellow cationic dyes for dying of organic material CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1072967-C Uncomplexed cyclodextrin solutions for odor control or inanimate surface PROCTER & GAMBLES CO (US) 2001-10-17 CN disclosed
CN-1308672-A Laundry detergent and/or fabric care compositions comprising modified transferases PROCTER & GAMBLE (US) 2001-08-15 CN disclosed
CN-1292814-A laundry detergent and/or fabric care compositions containing transferase PROCTER & GAMBLE (US) 2001-04-25 CN disclosed
CN-1269819-A Food cleaning compositions containing cyclodextrin PROCTER & GAMBLE (US) 2000-10-11 CN disclosed
CN-1159762-A Uncomplexed cyclodextrin solutions for odor control or inanimate surface PROCTER & GAMBLE (US) 1997-09-17 CN 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-20250171422-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CRY2 C1S 66/4885PARP1 800/4885PRSS1 4447/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 C1S 1623/4885PARP1 3300/4885PRSS1 48/4885
US-12384766-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CRY2 C1S 66/4885PARP1 800/4885PRSS1 4447/4885
US-12150380-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CRY2 C1S 66/4885PARP1 800/4885PRSS1 4447/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR C1S 4557/4885PARP1 1420/4885PRSS1 3306/4885
US-20250057042-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CRY2 C1S 66/4885PARP1 800/4885PRSS1 4447/4885
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP C1S 5/4885PARP1 1015/4885PRSS1 48/4885

“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.