SCHEMBL1038680

SCHEMBL1038680

Clc1ccc2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
DHFR P00374 1/20 0.55
PNMT P11086 1/20 0.52
C5AR1 P21730 1/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 4/20 0.51
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD4 P21917 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL29883119 1.00 KMT2A (0.63) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL16217181 0.88 PNMT (0.56) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL30474228 0.88 PNMT (0.56) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL12706737 0.84 MEN1 (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL5777297 0.84 MEN1 (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL30474239 0.84 KMT2A (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL16220609 0.84 MEN1 (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL13100451 0.84 MEN1 (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL17984056 0.83 KMT2A (0.60) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL5776892 0.82 MEN1 (0.59) KMT2AMEN1NPC1RAB9ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317735-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2024-09-26 US disclosed
US-11986471-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
EP-4182032-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-05-24 EP disclosed
CN-115835910-A Hydrogenated isoquinoline or naphthyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-113880866-B Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-09-27 CN disclosed
WO-2022013136-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2022-01-20 WO disclosed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 WO disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 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-11986471-B2 Compounds and methods of use XDH, F12, LPXN KMT2A 3722/4885MEN1 182/4885NPC1 209/4885
US-20240317735-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, H1-3, HRH4 KMT2A 294/4885MEN1 291/4885NPC1 2605/4885
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN KMT2A 2296/4885MEN1 118/4885NPC1 952/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 KMT2A 2248/4885MEN1 92/4885NPC1 921/4885
US-20230060499-A1 COMPOUNDS AND METHODS OF USE XDH, F12, LPXN KMT2A 3722/4885MEN1 182/4885NPC1 209/4885

“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.