SCHEMBL16600593

SCHEMBL16600593

O=C1CC2(CCCNC2)CN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.38
CYP2D6 P10635 8/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 5/20 0.38
CYP1A2 P05177 5/20 0.38
TSHR P16473 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 4/20 0.36
HPGD P15428 2/20 0.35
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 4/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 3/20 0.33
TP53 P04637 2/20 0.33
CRBN Q96SW2 1/20 0.32
CHEK1 O14757 2/20 0.32
AURKA O14965 1/20 0.30

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
SCHEMBL27064690 1.00 CYP3A4 (0.38) CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2
SCHEMBL4472210 0.88 OPRM1 (0.40) TSHROPRM1OPRL1SMN1; SMN2CYP11B1
SCHEMBL18132114 0.86 ALDH1A1 (0.37) CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2
SCHEMBL20941858 0.86 OPRM1 (0.41) CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL26683264 0.86 OPRM1 (0.39) TSHROPRM1OPRL1SMN1; SMN2CYP11B1
Hydrochloric Acid SCHEMBL17101303 0.85 OPRM1 (0.40) CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2
SCHEMBL17925986 0.81
SCHEMBL2522078 0.81 OPRM1 (0.47) OPRM1OPRL1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL3676748 0.79 ALDH1A1 (0.40) CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2
SCHEMBL6229229 0.79 OPRM1 (0.46) OPRM1OPRL1SMN1; SMN2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897159-A Heterocyclic compounds and methods of use 安进公司 2024-04-16 CN claimed
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-25 US disclosed
US-12398154-B2 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-08-26 US disclosed
EP-4600247-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2025-08-13 EP disclosed
US-20250179077-A1 QUINAZOLINE COMPOUNDS AND USES THEREOF AS INHIBITORS OF MUTANT KRAS PROTEINS AMGEN INC. (US) 2025-06-05 US disclosed
US-20240417412-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2024-12-19 US disclosed
EP-4384177-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-06-19 EP disclosed
CN-117897159-A Heterocyclic compounds and methods of use 安进公司 2024-04-16 CN disclosed
WO-2024051763-A1 QUINAZOLINE HETEROCYCLIC DERIVATIVE OF KRAS MUTATION INHIBITOR FOR TREATING CANCER 深圳福沃药业有限公司 2024-03-14 WO disclosed
CN-117659050-A Quinazoline heterocyclic derivatives as KRAS mutation inhibitors for the treatment of cancer 深圳福沃药业有限公司 2024-03-08 CN disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-20190345131-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
WO-2019204609-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-10-24 WO disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 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 (8 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-20250179077-A1 QUINAZOLINE COMPOUNDS AND USES THEREOF AS INHIBITORS OF MUTANT KRAS PROTEINS KRAS, NRAS, HRAS CYP3A4 2728/4885CYP2D6 2611/4885ALDH1A1 3124/4885
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB CYP3A4 776/4885CYP2D6 539/4885ALDH1A1 271/4885
US-20240417412-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS CYP3A4 2069/4885CYP2D6 1014/4885ALDH1A1 1116/4885
US-20190345131-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP3A4 4061/4885CYP2D6 3043/4885ALDH1A1 322/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 CYP3A4 4490/4885CYP2D6 4762/4885ALDH1A1 4720/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CYP3A4 396/4885CYP2D6 448/4885ALDH1A1 1245/4885
US-12398154-B2 Azaquinazoline pan-KRas inhibitors KRAS, NRAS, HRAS CYP3A4 3117/4885CYP2D6 3574/4885ALDH1A1 4127/4885
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS CYP3A4 2558/4885CYP2D6 2545/4885ALDH1A1 3580/4885

“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.