SCHEMBL2739650

SCHEMBL2739650

COc1ccnc(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.57
▸ CCR5 P51681 1/20 0.57
▸ CCR8 P51685 1/20 0.57
▸ NOS3 P29474 2/20 0.53
▸ NOS1 P29475 2/20 0.53
▸ NOS2 P35228 2/20 0.53
▸ PLAU P00749 1/20 0.44
▸ DYRK1A Q13627 4/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LMNA P02545 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38

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
SCHEMBL31672761 0.84 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL31691996 0.84 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL78448 0.82 MAOB (0.45) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21105270 0.82 LMNA (0.37) CCR1CCR5CCR8NOS3NOS1
SCHEMBL1662456 0.82 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL11327112 0.82 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL15212096 0.82 NOS3 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21784460 0.81 CCR1 (0.50) CCR1CCR5CCR8NOS3NOS1
SCHEMBL12553809 0.80 NQO1 (0.43) LMNARAB9ASMN1; SMN2NPC1CYP3A4
SCHEMBL23743940 0.80 CCR1 (0.48) CCR1CCR5CCR8NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015055-A1 PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-SULFONAMIDE DERIVATIVES FOR THE INHIBITION OF SGK-1 AND TREATMENT OF CANCER THRYV THERAPEUTICS INC. (CA) 2024-01-18 — — WO disclosed
WO-2024011307-A1 PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-SULFONAMIDE DERIVATIVES FOR THE INHIBITION OF SGK-1 AND TREATMENT OF CANCER THRYV THERAPEUTICS INC. (CA) 2024-01-18 — — WO disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 — — US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 — — US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 — — US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 — — US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 — — US disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US 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 (11 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CCR1 1455/4885CCR5 2544/4885CCR8 2641/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 CCR1 303/4885CCR5 265/4885CCR8 302/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4411/4885CCR5 4169/4885CCR8 4559/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CCR1 937/4885CCR5 2003/4885CCR8 758/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CCR1 658/4885CCR5 340/4885CCR8 1199/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CCR1 1455/4885CCR5 2544/4885CCR8 2641/4885
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME TMSB10, TUBA1C, TUBB1 CCR1 3525/4885CCR5 3194/4885CCR8 2667/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CCR1 303/4885CCR5 265/4885CCR8 302/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA CCR1 1739/4885CCR5 2504/4885CCR8 3302/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CCR1 1305/4885CCR5 242/4885CCR8 526/4885

“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.

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