SCHEMBL134455

SCHEMBL134455

Cc1cnn2ccnc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CHRM5 P08912 1/20 0.34
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 3/20 0.31
SMPD3 Q9NY59 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KMT2A Q03164 1/20 0.30
JAK2 O60674 1/20 0.30
RET P07949 1/20 0.30

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 SCHEMBL31619267 0.98 CHRM5 (0.33) NOS3NOS1NOS2CHRM5CCR1
SCHEMBL22747528 0.75 APOBEC3A (0.33) NPC1RAB9ASMN1; SMN2DYRK1AJAK2
SCHEMBL15601183 0.75 SMPD3 (0.37) DYRK1ASMPD3JAK2RETKDR
SCHEMBL9949908 0.75 CHRM5 (0.32) CHRM5NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL23817209 0.75 ACVR2A (0.35) NOS3NOS1NOS2CCR1CCR5
SCHEMBL12344470 0.75 SYK (0.33) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL19130967 0.75 DGAT1 (0.32) CHRM5
SCHEMBL12341047 0.75 DGAT1 (0.33) CHRM5
SCHEMBL29334278 0.72 AURKA (0.35) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL24542415 0.72 CYP11B2 (0.33) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-04-27 US disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
WO-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed
EP-4105216-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-12-21 EP disclosed
US-20220024915-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2022-01-27 US disclosed
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 US disclosed
WO-2009047522-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 WO disclosed
WO-2009047506-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 WO disclosed
US-7226922-B2 Imidazo[1,2-b]pyridazine analogues as anxiolytics and cognition enhancers MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US disclosed
US-20040067948-A1 Imidazo[1,2-b]pyridazine analogues as anxiolytics and cognition enhancers MERCK SHARP & DOHME LTD. (GB) 2004-04-08 US disclosed
US-5409919-A Pharmaceutically acceptable salt of 7B-[2-(5-amino-1,2,4-thio-diazol-3-yl)-2(Z)-metho-xyiminoacetamido]-3-[(imidazo[1,2-b]pyridazinium-1-yl)methyl]-3-cephem-4-carboxylate and composition comprising same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-25 US disclosed
EP-0203271-B1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-05-26 EP disclosed
US-4962100-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 US disclosed
US-4864022-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-09-05 US disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 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 (5 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-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR NOS3 1978/4885NOS1 2838/4885NOS2 2246/4885
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 NOS3 2479/4885NOS1 2336/4885NOS2 2326/4885
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR NOS3 1978/4885NOS1 2838/4885NOS2 2246/4885
US-20220024915-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 NOS3 4683/4885NOS1 3843/4885NOS2 4720/4885
US-20040067948-A1 Imidazo[1,2-b]pyridazine analogues as anxiolytics and cognition enhancers CBR1, CNR1, HCRTR1 NOS3 869/4885NOS1 550/4885NOS2 547/4885

“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.