SCHEMBL2883600

SCHEMBL2883600

Cc1ccc2c(O)ccc(F)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
OPRK1 P41145 1/20 0.56
CTSB P07858 1/20 0.46
CTSH P09668 1/20 0.46
METAP2 P50579 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
ADORA2A P29274 1/20 0.36
LMNA P02545 2/20 0.35
GRM5 P41594 2/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL3275602 0.84 KMT2A (0.77) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL7171554 0.82 KMT2A (0.74) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL28898898 0.80 KMT2A (0.71) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL5217451 0.78 KMT2A (0.49) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL12416583 0.77 CCR1 (0.41) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL31556365 0.77 CCR1 (0.41) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL3961491 0.77 CCR1 (0.41) KMT2AOPRK1MAPTRAB9ACCR1
SCHEMBL17542880 0.77 KDM4E (0.38) KMT2AOPRK1METAP2MAPTKDM4E
SCHEMBL4174305 0.77 KMT2A (0.56) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL17774714 0.77 KMT2A (0.56) KMT2AOPRK1CTSBCTSHMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-2145622-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors Glaxo Group Limited (GB) 2010-01-20 EP disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-1876174-B1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LTD (GB) 2009-11-11 EP disclosed
US-7592346-B2 e.g. 3-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-1,3-oxazolidin-2-one; serotonin receptor antagonist and inverse agonists, agonists or partial agonists, serotonin reuptake inhibitor; antidepressant, anxiolytic agent GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
CN-100441571-C Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LTD (GB) 2008-12-10 CN disclosed
US-7459456-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2008-12-02 US disclosed
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2008-11-13 US disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
CN-1478092-A Benzoxazinone derivatives, their preparation and use ʷ 2004-02-25 CN disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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 (6 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 KMT2A 2934/4885OPRK1 75/4885CTSB 2893/4885
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors OPRK1, OPRL1, OPRD1 KMT2A 2415/4885OPRK1 1/4885CTSB 1918/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F KMT2A 1738/4885OPRK1 24/4885CTSB 3626/4885
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F KMT2A 1191/4885OPRK1 33/4885CTSB 3529/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX KMT2A 1832/4885OPRK1 430/4885CTSB 2894/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F KMT2A 1284/4885OPRK1 39/4885CTSB 3916/4885

“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.