SCHEMBL423154

SCHEMBL423154

NCc1cc(Br)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
CCR5 P51681 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
PLAU P00749 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
AOC1 P19801 2/20 0.35
AOC3 Q16853 2/20 0.35
HTR2A P28223 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
IDO1 P14902 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
BACE1 P56817 1/20 0.34

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 SCHEMBL933206 0.98 CYP2A6 (0.44) CYP2A6CCR5KDM4EGLAMAPT
SCHEMBL2015922 0.82 HTR2A (0.49) CYP2A6KDM4EGLAMAPTALDH1A1
SCHEMBL31413498 0.82 HTR2A (0.49) CYP2A6KDM4EGLAMAPTALDH1A1
SCHEMBL30528616 0.81 CYP2A6 (0.46) CYP2A6CCR5KDM4EGLAMAPT
SCHEMBL3923194 0.81 CYP2A6 (0.46) CYP2A6CCR5KDM4EGLAMAPT
Hydrochloric Acid SCHEMBL31413396 0.80 HTR2A (0.47) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL3390800 0.80 CYP2A6 (0.48) CYP2A6CCR5KDM4EMAPTALDH1A1
SCHEMBL19970560 0.79 KDM4E (0.41) CYP2A6KDM4EGLAMAPTALDH1A1
SCHEMBL382588 0.79 MAPT (0.47) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL29729453 0.79 KDM4E (0.45) KDM4EGLAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101380319-A Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma ALCON INC (CH) 2009-03-11 CN claimed
US-20260070880-A1 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES, INC. (US) 2026-03-12 US disclosed
EP-4583868-A2 DYNAMIN ACTIVATORS Walden Biosciences, Inc. (US) 2025-07-16 EP disclosed
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
CN-115925642-B Synthesis method of 1, 4-benzodiazepine Zhuo Zahuan derivative 枣庄学院 2025-02-07 CN disclosed
CN-115785002-B Synthesis method of quinazoline heterocyclic derivative 枣庄学院 2024-10-11 CN disclosed
CN-118530186-A Synthesis method of quinazoline derivative 多氟多新材料股份有限公司 2024-08-23 CN disclosed
WO-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO disclosed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO disclosed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO disclosed
US-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-10-22 US disclosed
US-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2009-10-22 US disclosed
CN-101380319-A Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma ALCON INC (CH) 2009-03-11 CN disclosed
US-7425318-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-09-16 US disclosed
US-7425318-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-09-16 US disclosed
WO-2008014822-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS ROTTAPHARM S.P.A. (IT) 2008-02-07 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 (3 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-20090264451-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS IL1A, IL6, IL1B CYP2A6 121/4885CCR5 176/4885KDM4E 3227/4885
US-20260070880-A1 DYNAMIN ACTIVATORS DNM1, DNM1L, DNM2 CYP2A6 3646/4885CCR5 689/4885KDM4E 2562/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CYP2A6 3665/4885CCR5 4526/4885KDM4E 376/4885

“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.