SCHEMBL1012325

SCHEMBL1012325

O=c1[nH]cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 4/20 0.80
ROCK2 O75116 1/20 0.54
IP6K3 Q96PC2 1/20 0.53
IP6K2 Q9UHH9 1/20 0.53
PARP1 P09874 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TNKS2 Q9H2K2 2/20 0.51
PDPK1 O15530 1/20 0.51
CA12 O43570 1/20 0.51
ALOX15 P16050 1/20 0.51
CA9 Q16790 1/20 0.51
NSD2 O96028 1/20 0.51
ABL1 P00519 1/20 0.51
PPARG P37231 1/20 0.51
RIN1 Q13671 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL7450965 0.88 IP6K1 (0.62) IP6K1ROCK2PARP1SMN1; SMN2TNKS2
SCHEMBL5875318 0.86 IP6K1 (0.61) IP6K1IP6K3PARP1SMN1; SMN2ALDH1A1
SCHEMBL5875474 0.86 IP6K1 (0.60) IP6K1PARP1MAOBMAOAACHE
SCHEMBL3527436 0.83 IP6K1 (0.60) IP6K1SMN1; SMN2NSD2ABL1PPARG
SCHEMBL20897397 0.82 IP6K1 (0.69) IP6K1ROCK2IP6K3IP6K2PARP1
SCHEMBL4116942 0.80 IP6K1 (0.62) IP6K1NSD2ABL1PPARGRIN1
SCHEMBL3275718 0.78 IP6K1 (0.61) IP6K1IP6K3IP6K2NSD2ABL1
SCHEMBL3275884 0.78 IP6K1 (0.61) IP6K1ROCK2IP6K3IP6K2PARP1
SCHEMBL29717506 0.78 IP6K1 (0.61) IP6K1ROCK2IP6K3IP6K2PARP1
SCHEMBL29717416 0.78 IP6K1 (0.61) IP6K1IP6K3IP6K2NSD2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
CN-106146484-A Quinazoline derivant is as RAF kinase modulator and their method and purposes 埃姆比特生物科学公司 2016-11-23 CN disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
CN-102026985-B Quinazoline derivatives as RAF kinase modulators and methods and uses thereof 埃姆比特生物科学公司 2016-07-06 CN disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 US disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 WO disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF IP6K1 267/4885ROCK2 401/4885IP6K3 324/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IP6K1 267/4885ROCK2 401/4885IP6K3 324/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IP6K1 267/4885ROCK2 401/4885IP6K3 324/4885

“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.